Mock Version: 1.2.10 ENTER do(['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target x86_64 --nodeps /builddir/build/SPECS/rdkit.spec'], chrootPath='/var/lib/mock/epel-7-x86_64-mockbuilder-25121/root'shell=FalseprintOutput=Falseenv={'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'SHELL': '/bin/bash', 'PROMPT_COMMAND': 'printf "\x1b]0;\x07"', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'HOME': '/builddir', 'HOSTNAME': 'mock'}gid=135user='mockbuild'timeout=0logger=uid=1001) Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bs --target x86_64 --nodeps /builddir/build/SPECS/rdkit.spec'] with env {'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'SHELL': '/bin/bash', 'PROMPT_COMMAND': 'printf "\x1b]0;\x07"', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'HOME': '/builddir', 'HOSTNAME': 'mock'} and shell False sh: pg_config: command not found warning: Could not canonicalize hostname: copr-builder-417527666 Building target platforms: x86_64 Building for target x86_64 Wrote: /builddir/build/SRPMS/rdkit-2015.03.1-2.el7.centos.src.rpm Child return code was: 0 LEAVE do --> ENTER do(['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target x86_64 --nodeps /builddir/build/SPECS/rdkit.spec '], chrootPath='/var/lib/mock/epel-7-x86_64-mockbuilder-25121/root'shell=FalseprintOutput=Falseenv={'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'SHELL': '/bin/bash', 'PROMPT_COMMAND': 'printf "\x1b]0;\x07"', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'HOME': '/builddir', 'HOSTNAME': 'mock'}gid=135user='mockbuild'timeout=0logger=uid=1001) Executing command: ['bash', '--login', '-c', '/usr/bin/rpmbuild -bb --target x86_64 --nodeps /builddir/build/SPECS/rdkit.spec '] with env {'LANG': 'en_US.UTF-8', 'TERM': 'vt100', 'SHELL': '/bin/bash', 'PROMPT_COMMAND': 'printf "\x1b]0;\x07"', 'PATH': '/usr/bin:/bin:/usr/sbin:/sbin', 'HOME': '/builddir', 'HOSTNAME': 'mock'} and shell False Building target platforms: x86_64 Building for target x86_64 Executing(%prep): /bin/sh -e /var/tmp/rpm-tmp.QW9isL + umask 022 + cd /builddir/build/BUILD + cd /builddir/build/BUILD + rm -rf rdkit-Release_2015_03_1 + /usr/bin/gzip -dc /builddir/build/SOURCES/Release_2015_03_1.tar.gz + /usr/bin/tar -xf - + STATUS=0 + '[' 0 -ne 0 ']' + cd rdkit-Release_2015_03_1 + /usr/bin/chmod -Rf a+rX,u+w,g-w,o-w . + echo 'Patch #2 (rdkit-2014.09-do_not_install_sping.patch):' Patch #2 (rdkit-2014.09-do_not_install_sping.patch): + /usr/bin/cat /builddir/build/SOURCES/rdkit-2014.09-do_not_install_sping.patch + /usr/bin/patch -p1 --fuzz=0 patching file CMakeLists.txt Hunk #1 succeeded at 153 (offset 4 lines). Patch #4 (rdkit-2014.09-fix_cmake_files_path.patch): + echo 'Patch #4 (rdkit-2014.09-fix_cmake_files_path.patch):' + /usr/bin/patch -p1 --fuzz=0 + /usr/bin/cat /builddir/build/SOURCES/rdkit-2014.09-fix_cmake_files_path.patch patching file CMakeLists.txt Hunk #1 succeeded at 82 (offset 1 line). Hunk #2 succeeded at 96 (offset 1 line). + rm -rf rdkit/sping + exit 0 Executing(%build): /bin/sh -e /var/tmp/rpm-tmp.drYoEK + umask 022 + cd /builddir/build/BUILD + cd rdkit-Release_2015_03_1 + CFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic' + export CFLAGS + CXXFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic' + export CXXFLAGS + FFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -I/usr/lib64/gfortran/modules' + export FFLAGS + FCFLAGS='-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -I/usr/lib64/gfortran/modules' + export FCFLAGS + LDFLAGS='-Wl,-z,relro ' + export LDFLAGS + /usr/bin/cmake -DCMAKE_C_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_CXX_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_Fortran_FLAGS_RELEASE:STRING=-DNDEBUG -DCMAKE_VERBOSE_MAKEFILE:BOOL=ON -DCMAKE_INSTALL_PREFIX:PATH=/usr -DINCLUDE_INSTALL_DIR:PATH=/usr/include -DLIB_INSTALL_DIR:PATH=/usr/lib64 -DSYSCONF_INSTALL_DIR:PATH=/etc -DSHARE_INSTALL_PREFIX:PATH=/usr/share -DLIB_SUFFIX=64 -DBUILD_SHARED_LIBS:BOOL=ON -D RDK_INSTALL_INTREE=OFF -D CMAKE_BUILD_TYPE=RelWithDebInfo -D RDK_BUILD_INCHI_SUPPORT:BOOL=ON -D RDK_INSTALL_STATIC_LIBS:BOOL=OFF -D RDK_THREADSAFE_SSS:BOOL=ON . -- The C compiler identification is GNU 4.8.3 -- The CXX compiler identification is GNU 4.8.3 -- Check for working C compiler: /usr/bin/cc -- Check for working C compiler: /usr/bin/cc -- works -- Detecting C compiler ABI info -- Detecting C compiler ABI info - done -- Check for working CXX compiler: /usr/bin/c++ -- Check for working CXX compiler: /usr/bin/c++ -- works -- Detecting CXX compiler ABI info -- Detecting CXX compiler ABI info - done -- Check if the system is big endian -- Searching 16 bit integer -- Looking for sys/types.h -- Looking for sys/types.h - found -- Looking for stdint.h -- Looking for stdint.h - found -- Looking for stddef.h -- Looking for stddef.h - found -- Check size of unsigned short -- Check size of unsigned short - done -- Using unsigned short -- Check if the system is big endian - little endian -- Found PythonInterp: /usr/bin/python (found version "2.7.5") -- Found PythonLibs: /usr/lib64/libpython2.7.so (found version "2.7.5") -- Boost version: 1.53.0 -- Found the following Boost libraries: -- python Python Install directory /usr/lib64/python2.7/site-packages -- Looking for include file pthread.h -- Looking for include file pthread.h - found -- Looking for pthread_create -- Looking for pthread_create - not found -- Looking for pthread_create in pthreads -- Looking for pthread_create in pthreads - not found -- Looking for pthread_create in pthread -- Looking for pthread_create in pthread - found -- Found Threads: TRUE -- Found INCHI: /usr/lib64/libinchi.so -- Boost version: 1.53.0 -- Found the following Boost libraries: -- regex -- Configuring done -- Generating done CMake Warning: Manually-specified variables were not used by the project: CMAKE_CXX_FLAGS_RELEASE CMAKE_C_FLAGS_RELEASE CMAKE_Fortran_FLAGS_RELEASE INCLUDE_INSTALL_DIR LIB_INSTALL_DIR RDK_THREADSAFE_SSS SHARE_INSTALL_PREFIX SYSCONF_INSTALL_DIR -- Build files have been written to: /builddir/build/BUILD/rdkit-Release_2015_03_1 + make -j2 /usr/bin/cmake -H/builddir/build/BUILD/rdkit-Release_2015_03_1 -B/builddir/build/BUILD/rdkit-Release_2015_03_1 --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[1]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/RDGeneral/CMakeFiles/RDGeneral.dir/build.make Code/RDGeneral/CMakeFiles/RDGeneral.dir/depend make -f External/INCHI-API/CMakeFiles/inchi_support.dir/build.make External/INCHI-API/CMakeFiles/inchi_support.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/CMakeFiles/inchi_support.dir/DependInfo.cmake --color= make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 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Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/hcdriver.c.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh && /usr/bin/cc -DRDK_64BIT_BUILD -Dhc_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/hc.dir/hcdriver.c.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh/hcdriver.c Linking C shared library ../../../../lib/libhc.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/hc.dir/link.txt --verbose=1 /usr/bin/cc -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libhc.so.1 -o ../../../../lib/libhc.so.1.2015.03.1 CMakeFiles/hc.dir/hc.c.o CMakeFiles/hc.dir/hcdriver.c.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_symlink_library ../../../../lib/libhc.so.1.2015.03.1 ../../../../lib/libhc.so.1 ../../../../lib/libhc.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 1%] Built target hc make -f Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures 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--param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/FreeChemicalFeature.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 1%] Building CXX object Code/RDGeneral/CMakeFiles/RDGeneral.dir/RDLog.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral && /usr/bin/c++ -DRDGeneral_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o 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cmake_link_script CMakeFiles/Catalogs.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libCatalogs.so.1 -o ../../lib/libCatalogs.so.1.2015.03.1 CMakeFiles/Catalogs.dir/Catalog.cpp.o CMakeFiles/Catalogs.dir/CatalogParams.cpp.o CMakeFiles/Catalogs.dir/CatalogEntry.cpp.o ../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Catalogs && /usr/bin/cmake -E cmake_symlink_library ../../lib/libCatalogs.so.1.2015.03.1 ../../lib/libCatalogs.so.1 ../../lib/libCatalogs.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 1 [ 9%] Built target Catalogs make -f 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/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/MaxMinPicker.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh/Clustering.cpp:17: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 10%] Building CXX object Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers && /usr/bin/c++ -DRDK_64BIT_BUILD -DSimDivPickers_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/HierarchicalClusterPicker.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh/Clustering.cpp: In function 'PyObject* Clustering_MurtaghCluster(boost::python::api::object, int, int, int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh/Clustering.cpp:81:63: warning: 'dataContig' may be used uninitialized in this function [-Wmaybe-uninitialized] clusterit((real *)dataContig->data,nPts,sz,option,ia,ib,crit); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh/Clustering.cpp: In function 'PyObject* Clustering_MurtaghDistCluster(boost::python::api::object, int, int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh/Clustering.cpp:134:64: warning: 'dataContig' may be used uninitialized in this function [-Wmaybe-uninitialized] distclusterit((real *)dataContig->data,nPts,option,ia,ib,crit); ^ Linking CXX shared module ../../../../rdkit/ML/Cluster/Clustering.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh && /usr/bin/cmake -E cmake_link_script CMakeFiles/Clustering.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,Clustering.so -o ../../../../rdkit/ML/Cluster/Clustering.so CMakeFiles/Clustering.dir/Clustering.cpp.o ../../../../lib/libhc.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 ../../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 10%] Built target Clustering make -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake --color= Scanning dependencies of target InfoTheory make[2]: Leaving directory 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/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory/InfoBitRanker.cpp Linking CXX shared library ../../lib/libSimDivPickers.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers && /usr/bin/cmake -E cmake_link_script CMakeFiles/SimDivPickers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libSimDivPickers.so.1 -o ../../lib/libSimDivPickers.so.1.2015.03.1 CMakeFiles/SimDivPickers.dir/DistPicker.cpp.o CMakeFiles/SimDivPickers.dir/MaxMinPicker.cpp.o CMakeFiles/SimDivPickers.dir/HierarchicalClusterPicker.cpp.o ../../lib/libhc.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers && /usr/bin/cmake -E cmake_symlink_library 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-DcDataStructs_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/cDataStructs.dir/DataStructs.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/Wrap/DataStructs.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 14%] Building CXX object Code/Geometry/CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry && /usr/bin/c++ -DRDGeometryLib_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/GridUtils.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/Wrap/DataStructs.cpp:20: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 14%] Building CXX object Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DcDataStructs_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/cDataStructs.dir/DiscreteValueVect.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/Wrap/DiscreteValueVect.cpp Linking CXX shared library ../../lib/libRDGeometryLib.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDGeometryLib.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libRDGeometryLib.so.1 -o ../../lib/libRDGeometryLib.so.1.2015.03.1 CMakeFiles/RDGeometryLib.dir/point.cpp.o CMakeFiles/RDGeometryLib.dir/Transform2D.cpp.o CMakeFiles/RDGeometryLib.dir/Transform3D.cpp.o CMakeFiles/RDGeometryLib.dir/UniformGrid3D.cpp.o CMakeFiles/RDGeometryLib.dir/GridUtils.cpp.o ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1 ../../lib/libRDGeometryLib.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 51 [ 14%] Built target RDGeometryLib make -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make 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/builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 76 [ 15%] Building CXX object Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdSimDivPickers_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdSimDivPickers.dir/MaxMinPicker.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/Wrap/MaxMinPicker.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /usr/include/numpy/oldnumeric.h:1, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/Wrap/MaxMinPicker.cpp:16: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/Wrap/MaxMinPicker.cpp: In function 'RDKit::INT_VECT RDPickers::LazyVectorMaxMinPicks(RDPickers::MaxMinPicker*, boost::python::api::object, int, int, boost::python::api::object, int, bool)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/Wrap/MaxMinPicker.cpp:153:28: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned int i=0;igetId()==confId){ ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 70 [ 21%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdGeometry_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/Wrap/UniformGrid3D.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 21%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/RWMol.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DGraphMol_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions 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object Code/GraphMol/CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DGraphMol_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PeriodicTable.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 22%] Building CXX object Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdGeometry_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions 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cmake_link_script CMakeFiles/rdGeometry.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdGeometry.so -o ../../../rdkit/Geometry/rdGeometry.so CMakeFiles/rdGeometry.dir/Point.cpp.o CMakeFiles/rdGeometry.dir/UniformGrid3D.cpp.o CMakeFiles/rdGeometry.dir/rdGeometry.cpp.o ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 70 [ 22%] Built target rdGeometry make -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make 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-Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/GraphMol.dir/MolPickler.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolPickler.cpp Linking CXX shared library ../../../lib/libAlignment.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment && /usr/bin/cmake -E cmake_link_script CMakeFiles/Alignment.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libAlignment.so.1 -o ../../../lib/libAlignment.so.1.2015.03.1 CMakeFiles/Alignment.dir/AlignPoints.cpp.o ../../../lib/libRDGeometryLib.so.1.2015.03.1 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-m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer/BFGSOpt.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 24%] Building CXX object Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/LinearSearch.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer && /usr/bin/c++ -DOptimizer_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer/LinearSearch.cpp Linking CXX shared library ../../../lib/libOptimizer.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_link_script CMakeFiles/Optimizer.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libOptimizer.so.1 -o ../../../lib/libOptimizer.so.1.2015.03.1 CMakeFiles/Optimizer.dir/BFGSOpt.cpp.o CMakeFiles/Optimizer.dir/LinearSearch.cpp.o ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer && /usr/bin/cmake -E cmake_symlink_library 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directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 25%] Building CXX object Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdAlignment_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/Wrap/rdAlignment.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/Wrap/rdAlignment.cpp:14: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 25%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Canon.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DGraphMol_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/GraphMol.dir/Canon.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Canon.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Canon.cpp: In function 'void RDKit::Canon::dfsFindCycles(RDKit::ROMol&, int, int, std::vector&, const UINT_VECT&, RDKit::INT_VECT&, RDKit::VECT_INT_VECT&, const boost::dynamic_bitset<>*, const std::vector >*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Canon.cpp:520:13: warning: unused variable 'otherAtom' [-Wunused-variable] Atom *otherAtom=mol.getAtomWithIdx(possibleIdx); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Canon.cpp: In function 'void RDKit::Canon::dfsBuildStack(RDKit::ROMol&, int, int, std::vector&, RDKit::VECT_INT_VECT&, const UINT_VECT&, RDKit::INT_VECT&, RDKit::Canon::MolStack&, RDKit::INT_VECT&, RDKit::INT_VECT&, RDKit::VECT_INT_VECT&, std::vector >&, const boost::dynamic_bitset<>*, const std::vector >*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Canon.cpp:689:20: warning: unused variable 'lowestRingIdx' [-Wunused-variable] unsigned int lowestRingIdx; ^ Linking CXX shared module ../../../../rdkit/Numerics/rdAlignment.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdAlignment.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdAlignment.so -o ../../../../rdkit/Numerics/rdAlignment.so CMakeFiles/rdAlignment.dir/rdAlignment.cpp.o ../../../../lib/libAlignment.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../../lib/libDataStructs.so.1.2015.03.1 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/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/BondStretch.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Chirality.cpp:13:0: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:34:7: warning: when initialized here [-Wreorder] bondholder() : bondType(Bond::UNSPECIFIED), ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, RDKit::Bond::BondStereo, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:37:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,Bond::BondStereo bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, unsigned int, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:42:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,unsigned int bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In member function 'unsigned int RDKit::Canon::AtomCompareFunctor::getAtomRingNbrCode(unsigned int) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:220:21: warning: unused variable 'at' [-Wunused-variable] const Atom *at=dp_atoms[i].atom; ^ In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/RDKitBase.h:20:0, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Chirality.cpp:11: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Chirality.cpp: In function 'std::pair RDKit::Chirality::isAtomPotentialChiralCenter(const RDKit::Atom*, const RDKit::ROMol&, const UINT_VECT&, RDKit::Chirality::INT_PAIR_VECT&)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Chirality.cpp:509:77: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] CHECK_INVARIANT(ranks[otherIdx](mol.getNumAtoms()), ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/Invariant.h:114:46: note: in definition of macro 'CHECK_INVARIANT' #define CHECK_INVARIANT( expr, mess ) if ( !(expr) ) {\ ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField && /usr/bin/c++ -DForceField_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 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/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/RingInfo.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 32%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField && /usr/bin/c++ -DForceField_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/OopBend.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 41 [ 33%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Conformer.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DGraphMol_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/GraphMol.dir/Conformer.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Conformer.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 28 [ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField && /usr/bin/c++ -DForceField_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/TorsionAngle.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 34%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/Renumber.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DGraphMol_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/GraphMol.dir/Renumber.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Renumber.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField && /usr/bin/c++ -DForceField_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/Nonbonded.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 34%] Building CXX object Code/GraphMol/CMakeFiles/GraphMol.dir/new_canon.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DGraphMol_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/GraphMol.dir/new_canon.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.cpp:12:0: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:34:7: warning: when initialized here [-Wreorder] bondholder() : bondType(Bond::UNSPECIFIED), ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, RDKit::Bond::BondStereo, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:37:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,Bond::BondStereo bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, unsigned int, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:42:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,unsigned int bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In member function 'unsigned int RDKit::Canon::AtomCompareFunctor::getAtomRingNbrCode(unsigned int) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:220:21: warning: unused variable 'at' [-Wunused-variable] const Atom *at=dp_atoms[i].atom; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 34%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField && /usr/bin/c++ -DForceField_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/DistanceConstraint.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In function 'void RDKit::Canon::RefinePartitions(const RDKit::ROMol&, RDKit::Canon::canon_atom*, CompareFunc, int, int*, int*, int&, int*, int*, char*) [with CompareFunc = RDKit::Canon::AtomCompareFunctor]': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:574:11: warning: 'symclass' may be used uninitialized in this function [-Wmaybe-uninitialized] atoms[index].index = symclass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In function 'void RDKit::Canon::RefinePartitions(const RDKit::ROMol&, RDKit::Canon::canon_atom*, CompareFunc, int, int*, int*, int&, int*, int*, char*) [with CompareFunc = RDKit::Canon::SpecialSymmetryAtomCompareFunctor]': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:574:11: warning: 'symclass' may be used uninitialized in this function [-Wmaybe-uninitialized] /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In function 'void RDKit::Canon::RefinePartitions(const RDKit::ROMol&, RDKit::Canon::canon_atom*, CompareFunc, int, int*, int*, int&, int*, int*, char*) [with CompareFunc = RDKit::Canon::ChiralAtomCompareFunctor]': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:574:11: warning: 'symclass' may be used uninitialized in this function [-Wmaybe-uninitialized] /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In function 'void RDKit::Canon::RefinePartitions(const RDKit::ROMol&, RDKit::Canon::canon_atom*, CompareFunc, int, int*, int*, int&, int*, int*, char*) [with CompareFunc = RDKit::Canon::SpecialChiralityAtomCompareFunctor]': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:574:11: warning: 'symclass' may be used uninitialized in this function [-Wmaybe-uninitialized] Linking CXX shared library ../../lib/libGraphMol.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/GraphMol.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libGraphMol.so.1 -o ../../lib/libGraphMol.so.1.2015.03.1 CMakeFiles/GraphMol.dir/Atom.cpp.o CMakeFiles/GraphMol.dir/QueryAtom.cpp.o CMakeFiles/GraphMol.dir/QueryBond.cpp.o CMakeFiles/GraphMol.dir/Bond.cpp.o CMakeFiles/GraphMol.dir/MolOps.cpp.o CMakeFiles/GraphMol.dir/FindRings.cpp.o CMakeFiles/GraphMol.dir/ROMol.cpp.o CMakeFiles/GraphMol.dir/RWMol.cpp.o CMakeFiles/GraphMol.dir/PeriodicTable.cpp.o CMakeFiles/GraphMol.dir/atomic_data.cpp.o CMakeFiles/GraphMol.dir/QueryOps.cpp.o CMakeFiles/GraphMol.dir/MolPickler.cpp.o CMakeFiles/GraphMol.dir/Canon.cpp.o CMakeFiles/GraphMol.dir/AtomIterators.cpp.o CMakeFiles/GraphMol.dir/BondIterators.cpp.o CMakeFiles/GraphMol.dir/Aromaticity.cpp.o CMakeFiles/GraphMol.dir/Kekulize.cpp.o CMakeFiles/GraphMol.dir/MolDiscriminators.cpp.o CMakeFiles/GraphMol.dir/ConjugHybrid.cpp.o CMakeFiles/GraphMol.dir/AddHs.cpp.o CMakeFiles/GraphMol.dir/Matrices.cpp.o CMakeFiles/GraphMol.dir/Chirality.cpp.o CMakeFiles/GraphMol.dir/RingInfo.cpp.o CMakeFiles/GraphMol.dir/Conformer.cpp.o CMakeFiles/GraphMol.dir/Renumber.cpp.o CMakeFiles/GraphMol.dir/new_canon.cpp.o ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_symlink_library ../../lib/libGraphMol.so.1.2015.03.1 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make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 34%] Building CXX object Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct && /usr/bin/c++ -DRDK_64BIT_BUILD -DSubstructMatch_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o -c 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-I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/PositionConstraint.cpp Linking CXX shared library ../../../lib/libSubstructMatch.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/SubstructMatch.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libSubstructMatch.so.1 -o ../../../lib/libSubstructMatch.so.1.2015.03.1 CMakeFiles/SubstructMatch.dir/SubstructMatch.cpp.o CMakeFiles/SubstructMatch.dir/SubstructUtils.cpp.o ../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1 ../../../lib/libSubstructMatch.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 35%] Built target SubstructMatch make -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor 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-mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Depictor.dir/RDDepictor.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/RDDepictor.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 30 [ 36%] Building CXX object Code/ForceField/CMakeFiles/ForceField.dir/MMFF/Params.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField && /usr/bin/c++ -DForceField_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o -c 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CMakeFiles/ForceField.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libForceField.so.1 -o ../../lib/libForceField.so.1.2015.03.1 CMakeFiles/ForceField.dir/ForceField.cpp.o CMakeFiles/ForceField.dir/UFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/UFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/UFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/UFF/Inversion.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/UFF/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/UFF/Params.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleBend.cpp.o CMakeFiles/ForceField.dir/MMFF/BondStretch.cpp.o CMakeFiles/ForceField.dir/MMFF/StretchBend.cpp.o CMakeFiles/ForceField.dir/MMFF/OopBend.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionAngle.cpp.o CMakeFiles/ForceField.dir/MMFF/Nonbonded.cpp.o CMakeFiles/ForceField.dir/MMFF/DistanceConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/AngleConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/TorsionConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/PositionConstraint.cpp.o CMakeFiles/ForceField.dir/MMFF/Params.cpp.o ../../lib/libOptimizer.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField && /usr/bin/cmake -E cmake_symlink_library ../../lib/libForceField.so.1.2015.03.1 ../../lib/libForceField.so.1 ../../lib/libForceField.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 24 25 26 27 28 29 30 [ 37%] Built target ForceField make -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/DependInfo.cmake --color= Scanning dependencies of target SmilesParse make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 55 [ 38%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/c++ -DRDK_64BIT_BUILD -DSmilesParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/SmilesParse.cpp /usr/bin/cmake -E cmake_progress_report 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/usr/bin/c++ -DRDK_64BIT_BUILD -DSmilesParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/SmilesParseOps.cpp Linking CXX shared library ../../../lib/libDepictor.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/Depictor.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libDepictor.so.1 -o ../../../lib/libDepictor.so.1.2015.03.1 CMakeFiles/Depictor.dir/RDDepictor.cpp.o CMakeFiles/Depictor.dir/EmbeddedFrag.cpp.o CMakeFiles/Depictor.dir/DepictUtils.cpp.o ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libDepictor.so.1 ../../../lib/libDepictor.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 9 [ 38%] Built target Depictor make -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/DependInfo.cmake --color= Scanning dependencies of target PartialCharges make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 38%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges && /usr/bin/c++ -DPartialCharges_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/GasteigerCharges.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 38%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/c++ -DRDK_64BIT_BUILD -DSmilesParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/SmilesWrite.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/SmilesWrite.cpp:15:0: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:34:7: warning: when initialized here [-Wreorder] bondholder() : bondType(Bond::UNSPECIFIED), ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, RDKit::Bond::BondStereo, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:37:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,Bond::BondStereo bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, unsigned int, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:42:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,unsigned int bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In member function 'unsigned int RDKit::Canon::AtomCompareFunctor::getAtomRingNbrCode(unsigned int) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:220:21: warning: unused variable 'at' [-Wunused-variable] const Atom *at=dp_atoms[i].atom; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/SmilesWrite.cpp: In function 'std::string RDKit::MolFragmentToSmiles(const RDKit::ROMol&, const std::vector&, const std::vector*, const std::vector >*, const std::vector >*, bool, bool, int, bool, bool, bool)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/SmilesWrite.cpp:594:60: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if( colors[i] == Canon::WHITE_NODE && ranks[i] < nextRank ){ ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 48 [ 39%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges && /usr/bin/c++ -DPartialCharges_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/GasteigerParams.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 56 [ 40%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/c++ -DRDK_64BIT_BUILD -DSmilesParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/SmartsWrite.cpp Linking CXX shared library ../../../lib/libPartialCharges.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_link_script CMakeFiles/PartialCharges.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libPartialCharges.so.1 -o ../../../lib/libPartialCharges.so.1.2015.03.1 CMakeFiles/PartialCharges.dir/GasteigerCharges.cpp.o CMakeFiles/PartialCharges.dir/GasteigerParams.cpp.o ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libPartialCharges.so.1.2015.03.1 ../../../lib/libPartialCharges.so.1 ../../../lib/libPartialCharges.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 48 [ 40%] Built target PartialCharges make -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/DependInfo.cmake --color= Scanning dependencies of target Subgraphs make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 40%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs && /usr/bin/c++ -DRDK_64BIT_BUILD -DSubgraphs_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -I/builddir/build/BUILD/rdkit-Release_2015_03_1/External/boost-numeric-bindings -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/Subgraphs.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/SmartsWrite.cpp:17:0: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:34:7: warning: when initialized here [-Wreorder] bondholder() : bondType(Bond::UNSPECIFIED), ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, RDKit::Bond::BondStereo, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:37:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,Bond::BondStereo bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, unsigned int, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:42:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,unsigned int bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In member function 'unsigned int RDKit::Canon::AtomCompareFunctor::getAtomRingNbrCode(unsigned int) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:220:21: warning: unused variable 'at' [-Wunused-variable] const Atom *at=dp_atoms[i].atom; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 40%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/c++ -DRDK_64BIT_BUILD -DSmilesParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/smarts.tab.cpp /usr/bin/cmake -E cmake_progress_report 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Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/c++ -DRDK_64BIT_BUILD -DSmilesParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/smiles.tab.cpp Linking CXX shared library ../../../lib/libSubgraphs.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/Subgraphs.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libSubgraphs.so.1 -o ../../../lib/libSubgraphs.so.1.2015.03.1 CMakeFiles/Subgraphs.dir/Subgraphs.cpp.o CMakeFiles/Subgraphs.dir/SubgraphUtils.cpp.o ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1 ../../../lib/libSubgraphs.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 58 [ 41%] Built target Subgraphs make -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make 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/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/c++ -DRDK_64BIT_BUILD -DSmilesParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/lex.yysmarts.cpp Linking CXX shared library ../../../lib/libMolTransforms.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libMolTransforms.so.1 -o ../../../lib/libMolTransforms.so.1.2015.03.1 CMakeFiles/MolTransforms.dir/MolTransforms.cpp.o ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 -lpthread ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libMolTransforms.so.1.2015.03.1 ../../../lib/libMolTransforms.so.1 ../../../lib/libMolTransforms.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 42%] Built target MolTransforms make -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend make[2]: 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-grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/lex.yysmiles.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 13 [ 43%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom && /usr/bin/c++ -DDistGeometry_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o 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/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SmilesParse.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libSmilesParse.so.1 -o ../../../lib/libSmilesParse.so.1.2015.03.1 CMakeFiles/SmilesParse.dir/SmilesParse.cpp.o CMakeFiles/SmilesParse.dir/SmilesParseOps.cpp.o CMakeFiles/SmilesParse.dir/SmilesWrite.cpp.o CMakeFiles/SmilesParse.dir/SmartsWrite.cpp.o CMakeFiles/SmilesParse.dir/smarts.tab.cpp.o CMakeFiles/SmilesParse.dir/smiles.tab.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmarts.cpp.o CMakeFiles/SmilesParse.dir/lex.yysmiles.cpp.o ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1 ../../../lib/libSmilesParse.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 55 56 57 [ 43%] Built target SmilesParse make -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/Wrap 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-Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdPartialCharges.dir/rdPartialCharges.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/Wrap/rdPartialCharges.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 43%] Building CXX object Code/DistGeom/CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom && /usr/bin/c++ -DDistGeometry_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom/ChiralViolationContrib.cpp Linking CXX shared library ../../lib/libDistGeometry.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeometry.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libDistGeometry.so.1 -o ../../lib/libDistGeometry.so.1.2015.03.1 CMakeFiles/DistGeometry.dir/DistGeomUtils.cpp.o CMakeFiles/DistGeometry.dir/TriangleSmooth.cpp.o CMakeFiles/DistGeometry.dir/DistViolationContrib.cpp.o CMakeFiles/DistGeometry.dir/ChiralViolationContrib.cpp.o ../../lib/libEigenSolvers.so.1.2015.03.1 ../../lib/libForceField.so.1.2015.03.1 ../../lib/libOptimizer.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom && /usr/bin/cmake -E cmake_symlink_library ../../lib/libDistGeometry.so.1.2015.03.1 ../../lib/libDistGeometry.so.1 ../../lib/libDistGeometry.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 13 [ 43%] Built target DistGeometry make -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && 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cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdMolTransforms_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdMolTransforms.dir/rdMolTransforms.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp Linking CXX shared module ../../../../rdkit/Chem/rdPartialCharges.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdPartialCharges.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 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/usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/Wrap/rdMolTransforms.cpp:13: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp: In member function 'RDGeom::Point3D RDKit::MolChemicalFeature::getPos(int) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp:50:10: warning: variable 'setNeg1' set but not used [-Wunused-but-set-variable] bool setNeg1=false; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 44 [ 45%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DMolChemicalFeatures_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureDef.cpp Linking CXX shared module ../../../../rdkit/Chem/rdMolTransforms.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g 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Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DMolChemicalFeatures_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeatureFactory.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 45%] Building CXX object Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers && /usr/bin/c++ -DRDK_64BIT_BUILD -DShapeHelpers_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/ShapeUtils.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 45%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DMolChemicalFeatures_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/FeatureParser.cpp Linking CXX shared library ../../../lib/libShapeHelpers.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ShapeHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libShapeHelpers.so.1 -o ../../../lib/libShapeHelpers.so.1.2015.03.1 CMakeFiles/ShapeHelpers.dir/ShapeEncoder.cpp.o CMakeFiles/ShapeHelpers.dir/ShapeUtils.cpp.o ../../../lib/libMolTransforms.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 -lpthread ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libShapeHelpers.so.1.2015.03.1 ../../../lib/libShapeHelpers.so.1 ../../../lib/libShapeHelpers.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 45%] Built target ShapeHelpers make -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/DependInfo.cmake --color= Scanning dependencies of target MolCatalog make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 43 [ 46%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog && /usr/bin/c++ -DMolCatalog_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/MolCatalogEntry.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 46%] Building CXX object Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog && /usr/bin/c++ -DMolCatalog_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/MolCatalogParams.cpp Linking CXX shared library ../../../lib/libMolCatalog.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libMolCatalog.so.1 -o ../../../lib/libMolCatalog.so.1.2015.03.1 CMakeFiles/MolCatalog.dir/MolCatalogEntry.cpp.o CMakeFiles/MolCatalog.dir/MolCatalogParams.cpp.o ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libCatalogs.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 -lpthread ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libMolCatalog.so.1.2015.03.1 ../../../lib/libMolCatalog.so.1 ../../../lib/libMolCatalog.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 43 [ 46%] Built target MolCatalog make -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/DependInfo.cmake --color= Scanning dependencies of target SLNParse make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 52 [ 47%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNParse.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse && /usr/bin/c++ -DRDK_64BIT_BUILD -DSLNParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SLNParse.dir/SLNParse.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/SLNParse.cpp Linking CXX shared library ../../../lib/libMolChemicalFeatures.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libMolChemicalFeatures.so.1 -o ../../../lib/libMolChemicalFeatures.so.1.2015.03.1 CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureDef.cpp.o CMakeFiles/MolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/MolChemicalFeatures.dir/FeatureParser.cpp.o ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libMolChemicalFeatures.so.1.2015.03.1 ../../../lib/libMolChemicalFeatures.so.1 ../../../lib/libMolChemicalFeatures.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 44 [ 47%] Built target MolChemicalFeatures make -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/DependInfo.cmake --color= Scanning dependencies of target rdqueries make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make 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Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/Queries.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdqueries_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdqueries.dir/Queries.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/Queries.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 48%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse && /usr/bin/c++ -DRDK_64BIT_BUILD -DSLNParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/SLNAttribs.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/SLNAttribs.cpp: In function 'void RDKit::SLNParse::parseAtomAttribs(RDKit::Atom*, RDKit::SLNParse::AttribListType, bool)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/SLNAttribs.cpp:216:60: warning: 'val' may be used uninitialized in this function [-Wmaybe-uninitialized] fTag+"AtomRingBondCount"); ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 48%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/sln.tab.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse && /usr/bin/c++ -DRDK_64BIT_BUILD -DSLNParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SLNParse.dir/sln.tab.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/sln.tab.cpp Linking CXX shared module ../../../rdkit/Chem/rdqueries.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdqueries.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdqueries.so -o ../../../rdkit/Chem/rdqueries.so CMakeFiles/rdqueries.dir/rdqueries.cpp.o CMakeFiles/rdqueries.dir/Queries.cpp.o ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 86 [ 48%] Built target rdqueries make -f Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build.make Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/DependInfo.cmake --color= Scanning dependencies of target rdChemicalFeatures make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build.make Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 48%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdChemicalFeatures_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap/rdChemicalFeatures.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 53 [ 49%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/lex.yysln.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse && /usr/bin/c++ -DRDK_64BIT_BUILD -DSLNParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/lex.yysln.cpp Linking CXX shared library ../../../lib/libSLNParse.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/SLNParse.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libSLNParse.so.1 -o ../../../lib/libSLNParse.so.1.2015.03.1 CMakeFiles/SLNParse.dir/SLNParse.cpp.o CMakeFiles/SLNParse.dir/SLNAttribs.cpp.o CMakeFiles/SLNParse.dir/sln.tab.cpp.o CMakeFiles/SLNParse.dir/lex.yysln.cpp.o ../../../lib/libGraphMol.so.1.2015.03.1 -lboost_regex-mt ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libSLNParse.so.1.2015.03.1 ../../../lib/libSLNParse.so.1 ../../../lib/libSLNParse.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 52 53 [ 49%] Built target SLNParse make -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/CMakeFiles/RDInchiLib.dir/DependInfo.cmake --color= Scanning dependencies of target RDInchiLib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 49%] Building CXX object External/INCHI-API/CMakeFiles/RDInchiLib.dir/inchi.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API && /usr/bin/c++ -DBUILD_INCHI_SUPPORT -DRDInchiLib_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -I/usr/include/inchi -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/RDInchiLib.dir/inchi.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 49%] Building CXX object Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdChemicalFeatures_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap/FreeChemicalFeature.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp: In function 'RDKit::Atom* RDKit::{anonymous}::findAlternatingBonds(RDKit::ROMol&, RDKit::Atom*, int, int, RDKit::Bond::BondType, RDKit::Bond::BondType, int, int, RDKit::Bond*, std::stack&, std::set&)': /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:229:47: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (path.size() == 0 || path.size() > currentPathLength) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp: In function 'bool RDKit::{anonymous}::_Valence5NCleanUpA(RDKit::RWMol&, RDKit::Atom*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:844:45: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (match[0].second == atom->getIdx() || match[1].second == atom->getIdx()) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:844:82: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (match[0].second == atom->getIdx() || match[1].second == atom->getIdx()) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp: In function 'RDKit::RWMol* RDKit::InchiToMol(const string&, RDKit::ExtraInchiReturnValues&, bool, bool)': /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1392:31: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for (int i = 0; i < numStereo0D; i ++) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1428:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (*begin != right) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1444:33: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (*begin != left) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1471:54: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (leftBond->getBeginAtomIdx() != left) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1474:59: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (extraLeftBond->getBeginAtomIdx() != left) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1486:55: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (rightBond->getBeginAtomIdx() != right) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1488:60: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (extraRightBond->getBeginAtomIdx() != right) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1498:52: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (leftBond->getBeginAtomIdx() != left) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1500:53: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (rightBond->getBeginAtomIdx() != right) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp: In function 'void RDKit::fixOptionSymbol(const char*, char*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1615:30: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for (i = 0; i < strlen(in); i ++) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp: In function 'void RDKit::rCleanUp(RDKit::RWMol&)': /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1637:55: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for (int match_id = 0; match_id < fgpMatches.size(); match_id ++) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp: In function 'std::string RDKit::MolToInchi(const RDKit::ROMol&, RDKit::ExtraInchiReturnValues&, const char*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/inchi.cpp:1946:48: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for (int i = 0; i < stereo0DEntries.size(); i++) { ^ Linking CXX shared library ../../lib/libRDInchiLib.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API && /usr/bin/cmake -E cmake_link_script CMakeFiles/RDInchiLib.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libRDInchiLib.so.1 -o ../../lib/libRDInchiLib.so.1.2015.03.1 CMakeFiles/RDInchiLib.dir/inchi.cpp.o -linchi ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 ../../lib/libDepictor.so.1.2015.03.1 ../../lib/libSubstructMatch.so.1.2015.03.1 ../../lib/libSmilesParse.so.1.2015.03.1 -lpthread ../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API && /usr/bin/cmake -E cmake_symlink_library ../../lib/libRDInchiLib.so.1.2015.03.1 ../../lib/libRDInchiLib.so.1 ../../lib/libRDInchiLib.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 49%] Built target RDInchiLib make -f Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/DependInfo.cmake --color= Scanning dependencies of target FileParsers make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 16 [ 50%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DFileParsers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/Mol2FileParser.cpp Linking CXX shared module ../../../rdkit/Chem/rdChemicalFeatures.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdChemicalFeatures.so -o ../../../rdkit/Chem/rdChemicalFeatures.so CMakeFiles/rdChemicalFeatures.dir/rdChemicalFeatures.cpp.o CMakeFiles/rdChemicalFeatures.dir/FreeChemicalFeature.cpp.o ../../../lib/libChemicalFeatures.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 50%] Built target rdChemicalFeatures make -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/DependInfo.cmake --color= Scanning dependencies of target rdinchi make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 50%] Building CXX object External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/pyInchi.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdinchi_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -I/usr/include/inchi -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdinchi.dir/pyInchi.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/Wrap/pyInchi.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 50%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileParser.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DFileParsers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FileParsers.dir/MolFileParser.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp: In function 'bool RDKit::FileParserUtils::ParseV3000CTAB(std::istream*, unsigned int&, RDKit::RWMol*, RDKit::Conformer*&, bool&, unsigned int&, unsigned int&, bool, bool)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp:2027:48: warning: variable 'chiralFlag' set but not used [-Wunused-but-set-variable] unsigned int nSgroups=0,n3DConstraints=0,chiralFlag=0; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp: In function 'RDKit::RWMol* RDKit::MolDataStreamToMol(std::istream*, unsigned int&, bool, bool, bool)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp:2193:36: warning: variable 'nLists' set but not used [-Wunused-but-set-variable] unsigned int nAtoms=0,nBonds=0,nLists=0,chiralFlag=0,nsText=0,nRxnComponents=0; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp:2193:58: warning: variable 'nsText' set but not used [-Wunused-but-set-variable] unsigned int nAtoms=0,nBonds=0,nLists=0,chiralFlag=0,nsText=0,nRxnComponents=0; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp:2193:67: warning: variable 'nRxnComponents' set but not used [-Wunused-but-set-variable] unsigned int nAtoms=0,nBonds=0,nLists=0,chiralFlag=0,nsText=0,nRxnComponents=0; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp:2194:9: warning: variable 'nReactants' set but not used [-Wunused-but-set-variable] int nReactants=0,nProducts=0,nIntermediates=0; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp:2194:22: warning: variable 'nProducts' set but not used [-Wunused-but-set-variable] int nReactants=0,nProducts=0,nIntermediates=0; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileParser.cpp:2194:34: warning: variable 'nIntermediates' set but not used [-Wunused-but-set-variable] int nReactants=0,nProducts=0,nIntermediates=0; ^ Linking CXX shared module ../../../rdkit/Chem/rdinchi.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdinchi.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdinchi.so -o ../../../rdkit/Chem/rdinchi.so CMakeFiles/rdinchi.dir/pyInchi.cpp.o ../../../lib/libRDInchiLib.so.1.2015.03.1 -linchi ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDBoost.so.1.2015.03.1 -lpthread -lpython2.7 -lboost_python-mt ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 50%] Built target rdinchi make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake --color= Scanning dependencies of target ForceFieldHelpers make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 50%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DForceFieldHelpers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp: In function 'bool RDKit::UFF::getUFFInversionParams(const RDKit::ROMol&, unsigned int, unsigned int, unsigned int, unsigned int, ForceFields::UFF::UFFInv&)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF/AtomTyper.cpp:461:12: warning: unused variable 'isAtom2C' [-Wunused-variable] bool isAtom2C = false; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 50%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DForceFieldHelpers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF/Builder.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 50%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DFileParsers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileStereochem.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 31 [ 51%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DForceFieldHelpers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/AtomTyper.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 17 [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DFileParsers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/MolFileWriter.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 52%] Building CXX object Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers && /usr/bin/c++ -DForceFieldHelpers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp: In function 'void RDKit::MMFF::Tools::addStretchBend(const RDKit::ROMol&, RDKit::MMFF::MMFFMolProperties*, ForceFields::ForceField*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp:347:22: warning: unused variable 'bondType' [-Wunused-variable] unsigned int bondType[2]; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/Builder.cpp:350:26: warning: unused variable 'mmffAngleParams' [-Wunused-variable] const MMFFAngle *mmffAngleParams = NULL; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DFileParsers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/ForwardSDMolSupplier.cpp Linking CXX shared library ../../../lib/libForceFieldHelpers.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/ForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libForceFieldHelpers.so.1 -o ../../../lib/libForceFieldHelpers.so.1.2015.03.1 CMakeFiles/ForceFieldHelpers.dir/UFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/UFF/Builder.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/AtomTyper.cpp.o CMakeFiles/ForceFieldHelpers.dir/MMFF/Builder.cpp.o ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libForceField.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../lib/libOptimizer.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libForceFieldHelpers.so.1.2015.03.1 ../../../lib/libForceFieldHelpers.so.1 ../../../lib/libForceFieldHelpers.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 31 [ 52%] Built target ForceFieldHelpers make -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake --color= Scanning dependencies of target MolAlign make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 52%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign && /usr/bin/c++ -DMolAlign_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/AlignMolecules.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 52%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DFileParsers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/SDMolSupplier.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 52%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/O3AAlignMolecules.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign && /usr/bin/c++ -DMolAlign_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/MolAlign.dir/O3AAlignMolecules.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp: In constructor 'RDKit::MolAlign::O3A::O3A(RDKit::ROMol&, const RDKit::ROMol&, void*, void*, RDKit::MolAlign::O3A::AtomTypeScheme, int, int, bool, unsigned int, unsigned int, const MatchVectType*, const DoubleVector*, RDKit::MolAlign::LAP*, RDKit::MolAlign::MolHistogram*, RDKit::MolAlign::MolHistogram*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp:1008:80: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (((*constraintMap)[i].first < 0) || ((*constraintMap)[i].first >= prbNAtoms) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp:1009:83: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] || ((*constraintMap)[i].second < 0) || ((*constraintMap)[i].second >= refNAtoms)) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp: In function 'double RDKit::MolAlign::_rmsdMatchVect(RDKit::ROMol*, const RDKit::ROMol*, const POINT3D_VECT&, const POINT3D_VECT&, const MatchVectType*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp:1104:22: warning: unused variable 'j' [-Wunused-variable] unsigned int j; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp: In member function 'double RDKit::MolAlign::O3A::trans(RDGeom::Transform3D&)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp:1156:35: warning: variable 'matchVectPtr' set but not used [-Wunused-but-set-variable] const RDKit::MatchVectType *matchVectPtr = NULL; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 18 [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SDWriter.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DFileParsers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FileParsers.dir/SDWriter.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/SDWriter.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp: In member function 'void RDKit::MolAlign::SDM::prepareMatchWeightsVect(RDKit::MatchVectType&, RDNumeric::DoubleVector&, double (*)(unsigned int, unsigned int, void*), void*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/O3AAlignMolecules.cpp:718:26: warning: 'min' may be used uninitialized in this function [-Wmaybe-uninitialized] weights[i] /= min; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 53%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DFileParsers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp Linking CXX shared library ../../../lib/libMolAlign.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolAlign.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libMolAlign.so.1 -o ../../../lib/libMolAlign.so.1.2015.03.1 CMakeFiles/MolAlign.dir/AlignMolecules.cpp.o CMakeFiles/MolAlign.dir/O3AAlignMolecules.cpp.o ../../../lib/libMolTransforms.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libAlignment.so.1.2015.03.1 ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libMolAlign.so.1.2015.03.1 ../../../lib/libMolAlign.so.1 ../../../lib/libMolAlign.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 53%] Built target MolAlign make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/DependInfo.cmake --color= Scanning dependencies of target DistGeomHelpers make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 12 [ 54%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DDistGeomHelpers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/BoundsMatrixBuilder.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 54%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DFileParsers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/SmilesWriter.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 54%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DDistGeomHelpers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Embedder.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 19 [ 55%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DFileParsers_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/TDTMolSupplier.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Embedder.cpp: In function 'bool RDKit::DGeomHelpers::_embedPoints(RDGeom::PointPtrVect*, DistGeom::BoundsMatPtr, bool, double, bool, unsigned int, double, double, int, unsigned int, const VECT_CHIRALSET*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Embedder.cpp:77:14: warning: variable 'largestDistance' set but not used [-Wunused-but-set-variable] double largestDistance=-1.0; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Embedder.cpp: In function 'void RDKit::DGeomHelpers::_findChiralSets(const RDKit::ROMol&, DistGeom::VECT_CHIRALSET&)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Embedder.cpp:166:18: warning: variable 'includeSelf' set but not used [-Wunused-but-set-variable] bool includeSelf = false; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Embedder.cpp: In function 'void RDKit::DGeomHelpers::detail::embedHelper_(int, int, RDKit::DGeomHelpers::detail::EmbedArgs*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Embedder.cpp:336:31: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(ci%numThreads != threadId) continue; ^ Linking CXX shared library ../../../lib/libDistGeomHelpers.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/DistGeomHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libDistGeomHelpers.so.1 -o ../../../lib/libDistGeomHelpers.so.1.2015.03.1 CMakeFiles/DistGeomHelpers.dir/BoundsMatrixBuilder.cpp.o CMakeFiles/DistGeomHelpers.dir/Embedder.cpp.o ../../../lib/libForceFieldHelpers.so.1.2015.03.1 ../../../lib/libDistGeometry.so.1.2015.03.1 ../../../lib/libAlignment.so.1.2015.03.1 -lpthread ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../lib/libForceField.so.1.2015.03.1 ../../../lib/libOptimizer.so.1.2015.03.1 ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libDistGeomHelpers.so.1.2015.03.1 ../../../lib/libDistGeomHelpers.so.1 ../../../lib/libDistGeomHelpers.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 12 [ 55%] Built target DistGeomHelpers make -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/DependInfo.cmake --color= Scanning dependencies of target rdForceField make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E 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../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 69 [ 57%] Built target rdForceField make -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom 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cmake_link_script CMakeFiles/FileParsers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libFileParsers.so.1 -o ../../../lib/libFileParsers.so.1.2015.03.1 CMakeFiles/FileParsers.dir/Mol2FileParser.cpp.o CMakeFiles/FileParsers.dir/MolFileParser.cpp.o CMakeFiles/FileParsers.dir/MolFileStereochem.cpp.o CMakeFiles/FileParsers.dir/MolFileWriter.cpp.o CMakeFiles/FileParsers.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SDMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SDWriter.cpp.o CMakeFiles/FileParsers.dir/SmilesMolSupplier.cpp.o CMakeFiles/FileParsers.dir/SmilesWriter.cpp.o CMakeFiles/FileParsers.dir/TDTMolSupplier.cpp.o CMakeFiles/FileParsers.dir/TDTWriter.cpp.o CMakeFiles/FileParsers.dir/TplFileParser.cpp.o CMakeFiles/FileParsers.dir/TplFileWriter.cpp.o CMakeFiles/FileParsers.dir/PDBParser.cpp.o CMakeFiles/FileParsers.dir/PDBWriter.cpp.o CMakeFiles/FileParsers.dir/PDBSupplier.cpp.o CMakeFiles/FileParsers.dir/ProximityBonds.cpp.o ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libFileParsers.so.1 ../../../lib/libFileParsers.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 16 17 18 19 20 21 [ 59%] Built target FileParsers make -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmolcpTest.dir/DependInfo.cmake --color= Scanning dependencies of target graphmolcpTest make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 59%] Building CXX object Code/GraphMol/CMakeFiles/graphmolcpTest.dir/cptest.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/cptest.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp: In function 'void testBasics()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:29:9: warning: variable 'a1' set but not used [-Wunused-but-set-variable] Atom *a1 = new Atom(6); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:30:9: warning: unused variable 'b1' [-Wunused-variable] Bond *b1 = new Bond(); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:31:10: warning: unused variable 'm1' [-Wunused-variable] ROMol *m1 = new ROMol(); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp: In function 'void testSMILES()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:41:10: warning: variable 'm' set but not used [-Wunused-but-set-variable] ROMol *m = SmilesToMol(smi); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp: In function 'void testMols()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:95:12: warning: unused variable 'm' [-Wunused-variable] RWMol *m=SmilesToMol(smis[i],0,false); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp: In function 'void testProps()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:112:18: warning: unused variable 'v' [-Wunused-variable] unsigned int v=1; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:117:18: warning: unused variable 'v' [-Wunused-variable] unsigned int v=1; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:122:18: warning: unused variable 'v' [-Wunused-variable] unsigned int v=1; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:128:18: warning: unused variable 'v' [-Wunused-variable] unsigned int v=1; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:135:18: warning: unused variable 'v' [-Wunused-variable] unsigned int v=1; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:140:18: warning: unused variable 'v' [-Wunused-variable] unsigned int v=1; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/memtest1.cpp:146:18: warning: unused variable 'v' [-Wunused-variable] unsigned int v=1; ^ Linking CXX executable graphmolMemTest1 cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMemTest1.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/graphmolMemTest1.dir/memtest1.cpp.o -o graphmolMemTest1 -rdynamic ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 59%] Built target graphmolMemTest1 make -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake --color= Scanning dependencies of target graphmolqueryTest make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 59%] Building CXX object Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/querytest.cpp Linking CXX executable graphmolcpTest cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolcpTest.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/graphmolcpTest.dir/cptest.cpp.o -o graphmolcpTest -rdynamic ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 59%] Built target graphmolcpTest make -f Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/DependInfo.cmake --color= Scanning dependencies of target graphmoltestCanon make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 64 [ 60%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/testCanon.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/graphmoltestCanon.dir/testCanon.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/testCanon.cpp Linking CXX executable graphmoltestCanon cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestCanon.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/graphmoltestCanon.dir/testCanon.cpp.o -o graphmoltestCanon -rdynamic ../../lib/libSubstructMatch.so.1.2015.03.1 ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 64 [ 60%] Built target graphmoltestCanon make -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/DependInfo.cmake --color= Scanning dependencies of target graphmoltestChirality make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 60%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/testChirality.cpp Linking CXX executable graphmolqueryTest cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolqueryTest.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/graphmolqueryTest.dir/querytest.cpp.o -o graphmolqueryTest -rdynamic ../../lib/libSubstructMatch.so.1.2015.03.1 ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 60%] Built target graphmolqueryTest make -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/DependInfo.cmake --color= Scanning dependencies of target graphmoltestPickler make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 60%] Building CXX object Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/testPickler.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/testChirality.cpp:20:0: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:34:7: warning: when initialized here [-Wreorder] bondholder() : bondType(Bond::UNSPECIFIED), ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, RDKit::Bond::BondStereo, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:37:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,Bond::BondStereo bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, unsigned int, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:42:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,unsigned int bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In member function 'unsigned int RDKit::Canon::AtomCompareFunctor::getAtomRingNbrCode(unsigned int) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:220:21: warning: unused variable 'at' [-Wunused-variable] const Atom *at=dp_atoms[i].atom; ^ Linking CXX executable graphmoltestPickler cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestPickler.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/graphmoltestPickler.dir/testPickler.cpp.o -o graphmoltestPickler -rdynamic ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libSubstructMatch.so.1.2015.03.1 ../../lib/libFileParsers.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 60%] Built target graphmoltestPickler make -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/hanoiTest.dir/DependInfo.cmake --color= Scanning dependencies of target hanoiTest make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 65 [ 61%] Building CXX object Code/GraphMol/CMakeFiles/hanoiTest.dir/hanoitest.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/hanoitest.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/hanoitest.cpp:10:0: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:34:7: warning: when initialized here [-Wreorder] bondholder() : bondType(Bond::UNSPECIFIED), ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, RDKit::Bond::BondStereo, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:37:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,Bond::BondStereo bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, unsigned int, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:42:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,unsigned int bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In member function 'unsigned int RDKit::Canon::AtomCompareFunctor::getAtomRingNbrCode(unsigned int) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:220:21: warning: unused variable 'at' [-Wunused-variable] const Atom *at=dp_atoms[i].atom; ^ Linking CXX executable graphmoltestChirality cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmoltestChirality.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/graphmoltestChirality.dir/testChirality.cpp.o -o graphmoltestChirality -rdynamic ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libFileParsers.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 61%] Built target graphmoltestChirality make -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake --color= Scanning dependencies of target ChemTransforms make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 61%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DChemTransforms_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms/ChemTransforms.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In function 'void test3()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:574:11: warning: 'symclass' may be used uninitialized in this function [-Wmaybe-uninitialized] atoms[index].index = symclass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:522:20: note: 'symclass' was declared here register int symclass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:574:11: warning: 'symclass' may be used uninitialized in this function [-Wmaybe-uninitialized] atoms[index].index = symclass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:522:20: note: 'symclass' was declared here register int symclass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In function 'void RDKit::Canon::RefinePartitions(const RDKit::ROMol&, RDKit::Canon::canon_atom*, CompareFunc, int, int*, int*, int&, int*, int*, char*) [with CompareFunc = atomcomparefunctor3]': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:574:11: warning: 'symclass' may be used uninitialized in this function [-Wmaybe-uninitialized] atoms[index].index = symclass; ^ Linking CXX executable hanoiTest cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/hanoiTest.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/hanoiTest.dir/hanoitest.cpp.o -o hanoiTest -rdynamic ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libFileParsers.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 65 [ 61%] Built target hanoiTest make -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/DependInfo.cmake --color= Scanning dependencies of target rdDepictor make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 68 [ 62%] Building CXX object Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdDepictor_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdDepictor.dir/rdDepictor.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /usr/include/numpy/oldnumeric.h:1, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/Wrap/rdDepictor.cpp:14: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 5 [ 63%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DChemTransforms_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms/MolFragmenter.cpp Linking CXX shared module 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../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 68 [ 63%] Built target rdDepictor make -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/DependInfo.cmake --color= Scanning dependencies of target smaTest1 make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 63%] Building CXX object Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/smatest.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/smaTest1.dir/smatest.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/smatest.cpp Linking CXX shared library ../../../lib/libChemTransforms.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libChemTransforms.so.1 -o ../../../lib/libChemTransforms.so.1.2015.03.1 CMakeFiles/ChemTransforms.dir/ChemTransforms.cpp.o CMakeFiles/ChemTransforms.dir/MolFragmenter.cpp.o ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 -lpthread ../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libChemTransforms.so.1.2015.03.1 ../../../lib/libChemTransforms.so.1 ../../../lib/libChemTransforms.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 5 [ 63%] Built target ChemTransforms make -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 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-fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/smiTest1.dir/test.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/test.cpp Linking CXX executable smaTest1 cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smaTest1.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/smaTest1.dir/smatest.cpp.o -o smaTest1 -rdynamic ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 63%] Built target smaTest1 make -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers 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-I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/fileParsersTest1.dir/test1.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/test1.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/test1.cpp: In function 'void testMissingFiles()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/test1.cpp:1608:10: warning: variable 'm' set but not used [-Wunused-but-set-variable] RWMol *m; ^ Linking CXX executable smiTest1 cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/smiTest1.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/smiTest1.dir/test.cpp.o -o smiTest1 -rdynamic ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 63%] Built target smiTest1 make -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers 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-grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/testMol2ToMol.cpp Linking CXX executable testMol2ToMol cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMol2ToMol.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testMol2ToMol.dir/testMol2ToMol.cpp.o -o testMol2ToMol -rdynamic ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 63%] Built target testMol2ToMol make -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers 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-I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/testMolSupplier.cpp Linking CXX executable fileParsersTest1 cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/fileParsersTest1.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/fileParsersTest1.dir/test1.cpp.o -o fileParsersTest1 -rdynamic ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 63%] Built target fileParsersTest1 make -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers 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-I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/testMolWriter.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/testMolSupplier.cpp: In function 'int testMolSup()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/testMolSupplier.cpp:69:14: warning: unused variable 'mol' [-Wunused-variable] ROMol *mol = sdsup.next(); ^ Linking CXX executable testMolSupplier cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolSupplier.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testMolSupplier.dir/testMolSupplier.cpp.o -o testMolSupplier -rdynamic ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 63%] Built target testMolSupplier make -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/DependInfo.cmake --color= Scanning dependencies of target testTplParser make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 99 [ 64%] Building CXX object Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/testTpls.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testTplParser.dir/testTpls.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/testTpls.cpp Linking CXX executable testMolWriter cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolWriter.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testMolWriter.dir/testMolWriter.cpp.o -o testMolWriter -rdynamic ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 64%] Built target testMolWriter make -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 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-Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testSubstructMatch.dir/test1.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct/test1.cpp Linking CXX executable testTplParser cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testTplParser.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testTplParser.dir/testTpls.cpp.o -o testTplParser -rdynamic ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 99 [ 64%] Built target testTplParser make -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/DependInfo.cmake --color= Scanning dependencies of target Fingerprints make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 64%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints && /usr/bin/c++ -DFingerprints_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Fingerprints.dir/Fingerprints.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/Fingerprints.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/RDKitBase.h:20:0, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct/test1.cpp:17: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct/test1.cpp: In function 'void test4()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct/test1.cpp:274:31: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] TEST_ASSERT(matches.size()==n); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/Invariant.h:139:36: note: in definition of macro 'TEST_ASSERT' #define TEST_ASSERT( expr ) if ( !(expr) ) {\ ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct/test1.cpp: In function 'void testGitHubIssue409()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct/test1.cpp:1029:18: warning: variable 'matched' set but not used [-Wunused-but-set-variable] unsigned int matched=SubstructMatch(*mol,*mol,matches,false,true,false,false); ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 22 [ 65%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints && /usr/bin/c++ -DFingerprints_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Fingerprints.dir/PatternFingerprints.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/PatternFingerprints.cpp Linking CXX executable testSubstructMatch cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubstructMatch.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testSubstructMatch.dir/test1.cpp.o -o testSubstructMatch -rdynamic ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 65%] Built target testSubstructMatch make -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/DependInfo.cmake --color= Scanning dependencies of target testChemTransforms make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 65%] Building CXX object Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms/testChemTransforms.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 65%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints && /usr/bin/c++ -DFingerprints_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Fingerprints.dir/MorganFingerprints.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/MorganFingerprints.cpp Linking CXX executable testChemTransforms cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testChemTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testChemTransforms.dir/testChemTransforms.cpp.o -o testChemTransforms -rdynamic ../../../lib/libChemTransforms.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 65%] Built target testChemTransforms make -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/DependInfo.cmake --color= Scanning dependencies of target testSubgraphs1 make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 98 [ 66%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/test1.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -I/builddir/build/BUILD/rdkit-Release_2015_03_1/External/boost-numeric-bindings -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testSubgraphs1.dir/test1.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/test1.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 66%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints && /usr/bin/c++ -DFingerprints_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Fingerprints.dir/AtomPairs.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/AtomPairs.cpp Linking CXX executable testSubgraphs1 cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs1.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testSubgraphs1.dir/test1.cpp.o -o testSubgraphs1 -rdynamic ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 23 [ 67%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/MACCS.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints && /usr/bin/c++ -DFingerprints_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Fingerprints.dir/MACCS.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/MACCS.cpp make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 98 [ 67%] Built target testSubgraphs1 make -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/DependInfo.cmake --color= Scanning dependencies of target testSubgraphs2 make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 67%] Building CXX object Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/test2.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -I/builddir/build/BUILD/rdkit-Release_2015_03_1/External/boost-numeric-bindings -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testSubgraphs2.dir/test2.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/test2.cpp Linking CXX executable testSubgraphs2 cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSubgraphs2.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testSubgraphs2.dir/test2.cpp.o -o testSubgraphs2 -rdynamic ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 67%] Built target testSubgraphs2 make -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake --color= Scanning dependencies of target FragCatalog make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 67%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog && /usr/bin/c++ -DFragCatalog_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/FragCatalogUtils.cpp Linking CXX shared library ../../../lib/libFingerprints.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/Fingerprints.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong 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make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 96 [ 68%] Building CXX object Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/test1.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testPartialCharges.dir/test1.cpp.o -c 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test1Canonicalization()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/test1.cpp:33:7: warning: variable 'cid' set but not used [-Wunused-but-set-variable] int cid = mol->addConformer(conf, true); ^ Linking CXX executable testMolTransforms cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolTransforms.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testMolTransforms.dir/test1.cpp.o -o testMolTransforms -rdynamic ../../../lib/libMolTransforms.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 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-Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 70%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog && /usr/bin/c++ -DFragCatalog_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/FragCatalogEntry.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp: In function 'void testIssue239()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:405:7: warning: variable 'needMore' set but not used [-Wunused-but-set-variable] int needMore; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp: In function 'void testIssue242()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFHelpers.cpp:441:7: warning: variable 'needMore' set but not used [-Wunused-but-set-variable] int needMore; ^ Linking CXX executable testMMFFForceFieldHelpers cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testMMFFForceFieldHelpers.dir/testMMFFHelpers.cpp.o -o testMMFFForceFieldHelpers -rdynamic ../../../../lib/libForceFieldHelpers.so.1.2015.03.1 ../../../../lib/libDistGeomHelpers.so.1.2015.03.1 ../../../../lib/libDistGeometry.so.1.2015.03.1 ../../../../lib/libFileParsers.so.1.2015.03.1 ../../../../lib/libMolTransforms.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libForceField.so.1.2015.03.1 ../../../../lib/libMolAlign.so.1.2015.03.1 ../../../../lib/libOptimizer.so.1.2015.03.1 ../../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../../lib/libAlignment.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread ../../../../lib/libForceFieldHelpers.so.1.2015.03.1 ../../../../lib/libForceField.so.1.2015.03.1 ../../../../lib/libOptimizer.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libMolTransforms.so.1.2015.03.1 ../../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 70%] Built target testMMFFForceFieldHelpers make -f 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cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 71%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog && /usr/bin/c++ -DFragCatalog_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/FragCatParams.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp: In function 'void testIssue239()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF/testUFFHelpers.cpp:636:7: warning: variable 'needMore' set but not used [-Wunused-but-set-variable] int needMore; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 33 [ 72%] Building CXX object Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog && /usr/bin/c++ -DFragCatalog_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/FragFPGenerator.cpp Linking CXX shared library ../../../lib/libFragCatalog.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/FragCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libFragCatalog.so.1 -o ../../../lib/libFragCatalog.so.1.2015.03.1 CMakeFiles/FragCatalog.dir/FragCatalogUtils.cpp.o CMakeFiles/FragCatalog.dir/FragCatGenerator.cpp.o CMakeFiles/FragCatalog.dir/FragCatalogEntry.cpp.o CMakeFiles/FragCatalog.dir/FragCatParams.cpp.o CMakeFiles/FragCatalog.dir/FragFPGenerator.cpp.o ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libCatalogs.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 -lpthread ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libFragCatalog.so.1.2015.03.1 ../../../lib/libFragCatalog.so.1 ../../../lib/libFragCatalog.so Linking CXX executable testUFFForceFieldHelpers cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceFieldHelpers.dir/link.txt --verbose=1 make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 32 33 [ 72%] Built target FragCatalog /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 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../../../../lib/libOptimizer.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libMolTransforms.so.1.2015.03.1 ../../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/Wrap 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-DrdForceFieldHelpers_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/Wrap/rdForceFields.cpp make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 100 [ 72%] Built target testUFFForceFieldHelpers make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/DependInfo.cmake --color= Scanning dependencies of target testDistGeomHelpers make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 72%] Building CXX object Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/testDgeomHelpers.cpp Linking CXX executable testDistGeomHelpers cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDistGeomHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testDistGeomHelpers.dir/testDgeomHelpers.cpp.o -o testDistGeomHelpers -rdynamic ../../../lib/libDistGeomHelpers.so.1.2015.03.1 ../../../lib/libDistGeometry.so.1.2015.03.1 ../../../lib/libForceFieldHelpers.so.1.2015.03.1 ../../../lib/libForceField.so.1.2015.03.1 ../../../lib/libMolAlign.so.1.2015.03.1 ../../../lib/libMolTransforms.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libOptimizer.so.1.2015.03.1 ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libAlignment.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 72%] Built target testDistGeomHelpers make -f Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build.make Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/DependInfo.cmake --color= Scanning dependencies of target rdDistGeom make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build.make Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 72%] Building CXX object Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdDistGeom_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp Linking CXX shared module ../../../../rdkit/Chem/rdForceFieldHelpers.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdForceFieldHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdForceFieldHelpers.so -o ../../../../rdkit/Chem/rdForceFieldHelpers.so CMakeFiles/rdForceFieldHelpers.dir/rdForceFields.cpp.o ../../../../lib/libForceFieldHelpers.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libForceField.so.1.2015.03.1 ../../../../lib/libOptimizer.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt -lpthread ../../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 72%] Built target rdForceFieldHelpers make -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/DependInfo.cmake --color= Scanning dependencies of target testFeatures make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 72%] Building CXX object Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/testFeatures.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testFeatures.dir/testFeatures.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap/rdDistGeom.cpp:13: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp: In function 'void testIssue348()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/testFeatures.cpp:775:7: warning: variable 'res' set but not used [-Wunused-but-set-variable] int res; ^ Linking CXX executable testFeatures cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFeatures.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testFeatures.dir/testFeatures.cpp.o -o testFeatures -rdynamic ../../../lib/libMolChemicalFeatures.so.1.2015.03.1 ../../../lib/libCatalogs.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 72%] Built target testFeatures make -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 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/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdMolChemicalFeatures_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/rdMolChemicalFeatures.cpp Linking CXX shared module ../../../../rdkit/Chem/rdDistGeom.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdDistGeom.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdDistGeom.so -o ../../../../rdkit/Chem/rdDistGeom.so CMakeFiles/rdDistGeom.dir/rdDistGeom.cpp.o ../../../../lib/libDistGeomHelpers.so.1.2015.03.1 ../../../../lib/libDistGeometry.so.1.2015.03.1 ../../../../lib/libFileParsers.so.1.2015.03.1 ../../../../lib/libMolTransforms.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libForceFieldHelpers.so.1.2015.03.1 ../../../../lib/libForceField.so.1.2015.03.1 ../../../../lib/libMolAlign.so.1.2015.03.1 ../../../../lib/libOptimizer.so.1.2015.03.1 ../../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../../lib/libAlignment.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 ../../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libMolTransforms.so.1.2015.03.1 ../../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 72%] Built target rdDistGeom make -f Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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/usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testShapeHelpers.dir/testShapeHelpers.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp: In function 'void test2Compare()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/testShapeHelpers.cpp:60:10: warning: variable 'rmsd' set but not used [-Wunused-but-set-variable] double rmsd = MolAlign::alignMol(*m, *m2); ^ Linking CXX executable testShapeHelpers cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers && /usr/bin/cmake -E cmake_link_script 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../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 72%] Built target testShapeHelpers make -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/Wrap 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-I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdShapeHelpers.dir/rdShapeHelpers.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 73 [ 73%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdMolChemicalFeatures_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeature.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /usr/include/numpy/oldnumeric.h:1, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/Wrap/rdShapeHelpers.cpp:13: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ Linking CXX shared module ../../../../rdkit/Chem/rdShapeHelpers.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdShapeHelpers.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC 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Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdMolChemicalFeatures_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/MolChemicalFeatureFactory.cpp Linking CXX executable testMolCatalog cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testMolCatalog.dir/test1.cpp.o -o testMolCatalog -rdynamic ../../../lib/libMolCatalog.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libCatalogs.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 94 [ 74%] Built target testMolCatalog make -f 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`/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 74%] Building CXX object Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdMolCatalog_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/Wrap/rdMolCatalog.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 74%] Building CXX object Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdMolChemicalFeatures_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/ChemicalFeatureUtils.cpp Linking CXX shared module ../../../../rdkit/Chem/rdMolCatalog.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdMolCatalog.so -o ../../../../rdkit/Chem/rdMolCatalog.so CMakeFiles/rdMolCatalog.dir/rdMolCatalog.cpp.o ../../../../lib/libMolCatalog.so.1.2015.03.1 ../../../../lib/libFileParsers.so.1.2015.03.1 ../../../../lib/libCatalogs.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 74%] Built target rdMolCatalog make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DependInfo.cmake --color= Scanning dependencies of target MolDraw2D make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 45 [ 75%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DMolDraw2D_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2D.cpp Linking CXX shared module ../../../../rdkit/Chem/rdMolChemicalFeatures.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolChemicalFeatures.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdMolChemicalFeatures.so -o ../../../../rdkit/Chem/rdMolChemicalFeatures.so CMakeFiles/rdMolChemicalFeatures.dir/rdMolChemicalFeatures.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeature.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/MolChemicalFeatureFactory.cpp.o CMakeFiles/rdMolChemicalFeatures.dir/ChemicalFeatureUtils.cpp.o ../../../../lib/libMolChemicalFeatures.so.1.2015.03.1 ../../../../lib/libCatalogs.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 ../../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../../lib/libDataStructs.so.1.2015.03.1 -lpthread ../../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 73 [ 75%] Built target rdMolChemicalFeatures make -f Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/DependInfo.cmake --color= Scanning dependencies of target FMCS make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 75%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/FMCS.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS && /usr/bin/c++ -DFMCS_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FMCS.dir/FMCS.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/FMCS.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/point.h:24:0, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2D.h:27, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:12: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2D.cpp: In member function 'RDKit::DrawColour RDKit::MolDraw2D::getColour(int, const std::vector*, const std::map >*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:487:38: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] PRECONDITION(atomic_nums_.size()>atom_idx,"bad atom_idx"); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/Invariant.h:119:43: note: in definition of macro 'PRECONDITION' #define PRECONDITION( expr, mess ) if ( !(expr) ) {\ ^ In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.h:23:0, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/FMCS.cpp:18: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/RingMatchTableSet.h: In member function 'void RDKit::FMCS::RingMatchTableSet::makeRingGraph(RDKit::FMCS::Graph&, const INT_VECT&, const RDKit::ROMol*) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/RingMatchTableSet.h:178:28: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1==j1) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/RingMatchTableSet.h:183:28: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1==j2) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/FMCS.cpp: In function 'void RDKit::parseMCSParametersJSON(const char*, RDKit::MCSParameters*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/FMCS.cpp:26:27: warning: unused variable 'iss' [-Wunused-variable] std::istream& iss = ss; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/FMCS.cpp: In function 'bool RDKit::FinalChiralityCheckFunction(const short unsigned int*, const short unsigned int*, const RDKit::ROMol&, const RDKit::FMCS::Graph&, const RDKit::ROMol&, const RDKit::FMCS::Graph&, const RDKit::MCSParameters*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/FMCS.cpp:367:89: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(target[c2[qMap[qBnd->getStereoAtoms()[0]]]]==mBnd->getStereoAtoms()[0]) end1Matches=1; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/FMCS.cpp:368:89: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(target[c2[qMap[qBnd->getStereoAtoms()[1]]]]==mBnd->getStereoAtoms()[1]) end2Matches=1; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/FMCS.cpp:371:89: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(target[c2[qMap[qBnd->getStereoAtoms()[0]]]]==mBnd->getStereoAtoms()[1]) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/FMCS.cpp:373:89: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(target[c2[qMap[qBnd->getStereoAtoms()[1]]]]==mBnd->getStereoAtoms()[0]) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/FMCS.cpp:345:22: warning: unused variable 'qtbi' [-Wunused-variable] unsigned qtbi = query[*bIter]; // bond index in seed topology defenition ^ In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2D.cpp:13:0: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h: At global scope: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h:28:16: warning: 'RDKit::MolDraw2D_detail::char_widths' defined but not used [-Wunused-variable] static int char_widths[]={0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,278,278,355,556,556,889,667,222,333,333,389,584,278,333,278,278,556,556,556,556,556,556,556,556,556,556,278,278,584,584,584,556,1015,667,667,722,722,667,611,778,722,278,500,667,556,833,722,778,667,778,722,667,611,722,667,944,667,667,611,278,278,278,469,556,222,556,556,500,556,556,278,556,556,222,222,500,222,833,556,556,556,556,333,500,278,556,500,722,500,500,500,334,260,334,584,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,333,556,556,167,556,556,556,556,191,333,556,333,333,500,500,0,556,556,556,278,0,537,350,222,333,333,556,1000,1000,0,611,0,333,333,333,333,333,333,333,333,0,333,333,0,333,333,333,1000,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1000,0,370,0,0,0,0,556,778,1000,365,0,0,0,0,0,889,0,0,0,278,0,0,222,611,944,611,0,0,834}; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 75%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DMolDraw2D_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp: In member function 'virtual void RDKit::MolDraw2DSVG::setFontSize(double)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp:169:12: warning: unused variable 'font_size_in_points' [-Wunused-variable] double font_size_in_points = fontSize() * scale(); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp: In member function 'virtual void RDKit::MolDraw2DSVG::getStringSize(const string&, double&, double&) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DSVG.cpp:193:98: warning: array subscript has type 'char' [-Wchar-subscripts] double char_width = fontSize() * static_cast(MolDraw2D_detail::char_widths[label[i]]) / MolDraw2D_detail::char_widths['M']; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 75%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DMolDraw2D_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 75%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/Seed.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS && /usr/bin/c++ -DFMCS_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FMCS.dir/Seed.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Seed.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp: In function 'void RDKit::MolDraw2D_detail::arcPoints(const RDGeom::Point2D&, const RDGeom::Point2D&, std::vector&, float, float)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp:37:31: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(unsigned int i=0;i<=steps;++i){ ^ In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.cpp:11:0: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h: At global scope: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/MolDraw2DDetails.h:28:16: warning: 'RDKit::MolDraw2D_detail::char_widths' defined but not used [-Wunused-variable] static int char_widths[]={0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,278,278,355,556,556,889,667,222,333,333,389,584,278,333,278,278,556,556,556,556,556,556,556,556,556,556,278,278,584,584,584,556,1015,667,667,722,722,667,611,778,722,278,500,667,556,833,722,778,667,778,722,667,611,722,667,944,667,667,611,278,278,278,469,556,222,556,556,500,556,556,278,556,556,222,222,500,222,833,556,556,556,556,333,500,278,556,500,722,500,500,500,334,260,334,584,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,333,556,556,167,556,556,556,556,191,333,556,333,333,500,500,0,556,556,556,278,0,537,350,222,333,333,556,1000,1000,0,611,0,333,333,333,333,333,333,333,333,0,333,333,0,333,333,333,1000,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1000,0,370,0,0,0,0,556,778,1000,365,0,0,0,0,0,889,0,0,0,278,0,0,222,611,944,611,0,0,834}; ^ Linking CXX shared library ../../../lib/libMolDraw2D.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/MolDraw2D.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libMolDraw2D.so.1 -o ../../../lib/libMolDraw2D.so.1.2015.03.1 CMakeFiles/MolDraw2D.dir/MolDraw2D.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DSVG.cpp.o CMakeFiles/MolDraw2D.dir/MolDraw2DDetails.cpp.o ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 -lpthread ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libMolDraw2D.so.1.2015.03.1 ../../../lib/libMolDraw2D.so.1 ../../../lib/libMolDraw2D.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 45 [ 75%] Built target MolDraw2D make -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/DependInfo.cmake --color= Scanning dependencies of target testSLNParse make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 75%] Building CXX object Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/test.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testSLNParse.dir/test.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/test.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.h:23:0, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Seed.cpp:10: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/RingMatchTableSet.h: In member function 'void RDKit::FMCS::RingMatchTableSet::makeRingGraph(RDKit::FMCS::Graph&, const INT_VECT&, const RDKit::ROMol*) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/RingMatchTableSet.h:178:28: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1==j1) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/RingMatchTableSet.h:183:28: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1==j2) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Seed.cpp: In member function 'void RDKit::FMCS::Seed::fillNewBonds(const RDKit::ROMol&)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Seed.cpp:67:102: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] NewBonds.push_back(NewBond(srcAtomIdx, bond->getIdx(), ai, end_atom_idx, -1==end_atom_idx ? end_atom:0)); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Seed.cpp: In member function 'void RDKit::FMCS::Seed::grow(RDKit::FMCS::MaximumCommonSubgraph&) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Seed.cpp:102:30: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1 == aIdx) { // new atom ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Seed.cpp:157:26: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1 == aIdx) { // new atom ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Seed.cpp:187:35: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1 != nbi->BondIdx) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Seed.cpp:241:38: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1 == aIdx) { // new atom ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 15 [ 76%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS && /usr/bin/c++ -DFMCS_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.h:23:0, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp:20: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/RingMatchTableSet.h: In member function 'void RDKit::FMCS::RingMatchTableSet::makeRingGraph(RDKit::FMCS::Graph&, const INT_VECT&, const RDKit::ROMol*) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/RingMatchTableSet.h:178:28: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1==j1) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/RingMatchTableSet.h:183:28: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1==j2) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp: In member function 'void RDKit::FMCS::MaximumCommonSubgraph::init()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp:115:52: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1 == QueryAtomLabels[ai]) { // not found -> create new label ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp:157:48: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1 == QueryAtomLabels[aj]) { // not found -> create new label ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp: In member function 'bool RDKit::FMCS::MaximumCommonSubgraph::growSeeds()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp:377:30: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(-1 == si->GrowingStage) //finished ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp: In member function 'bool RDKit::FMCS::MaximumCommonSubgraph::checkIfMatchAndAppend(RDKit::FMCS::Seed&)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp:680:18: warning: variable 'cacheEntryIsValid' set but not used [-Wunused-but-set-variable] bool cacheEntryIsValid = false; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp: In member function 'bool RDKit::FMCS::MaximumCommonSubgraph::matchIncrementalFast(RDKit::FMCS::Seed&, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/MaximumCommonSubgraph.cpp:924:38: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(mi=0; mi < match.MatchedAtomSize; mi++) { ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 76%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS && /usr/bin/c++ -DFMCS_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/SubstructMatchCustom.cpp Linking CXX executable testSLNParse cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse && /usr/bin/cmake -E cmake_link_script CMakeFiles/testSLNParse.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testSLNParse.dir/test.cpp.o -o testSLNParse -rdynamic ../../../lib/libSLNParse.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lboost_regex-mt ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 76%] Built target testSLNParse make -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/DependInfo.cmake --color= Scanning dependencies of target rdSLNParse make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 76%] Building CXX object Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdSLNParse_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/Wrap/rdSLNParse.cpp Linking CXX shared library ../../../lib/libFMCS.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_link_script CMakeFiles/FMCS.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libFMCS.so.1 -o ../../../lib/libFMCS.so.1.2015.03.1 CMakeFiles/FMCS.dir/FMCS.cpp.o CMakeFiles/FMCS.dir/Seed.cpp.o CMakeFiles/FMCS.dir/MaximumCommonSubgraph.cpp.o CMakeFiles/FMCS.dir/SubstructMatchCustom.cpp.o ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libChemTransforms.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libFMCS.so.1.2015.03.1 ../../../lib/libFMCS.so.1 ../../../lib/libFMCS.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 15 [ 76%] Built target FMCS make -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/DependInfo.cmake --color= Scanning dependencies of target rdchem make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 77 [ 77%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/rdchem.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdchem_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdchem.dir/rdchem.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/rdchem.cpp Linking CXX shared module ../../../../rdkit/Chem/rdSLNParse.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdSLNParse.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdSLNParse.so -o ../../../../rdkit/Chem/rdSLNParse.so CMakeFiles/rdSLNParse.dir/rdSLNParse.cpp.o ../../../../lib/libSLNParse.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt -lboost_regex-mt ../../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 77%] Built target rdSLNParse make -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/DependInfo.cmake --color= Scanning dependencies of target rdmolfiles make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 82 [ 78%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdmolfiles_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/rdmolfiles.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /usr/include/numpy/oldnumeric.h:1, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/rdchem.cpp:15: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/rdmolfiles.cpp:18:0: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:34:7: warning: when initialized here [-Wreorder] bondholder() : bondType(Bond::UNSPECIFIED), ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, RDKit::Bond::BondStereo, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:37:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,Bond::BondStereo bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In constructor 'RDKit::Canon::bondholder::bondholder(RDKit::Bond::BondType, unsigned int, unsigned int, unsigned int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:33:20: warning: 'RDKit::Canon::bondholder::nbrIdx' will be initialized after [-Wreorder] unsigned int nbrIdx; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:32:20: warning: 'unsigned int RDKit::Canon::bondholder::nbrSymClass' [-Wreorder] unsigned int nbrSymClass; ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:42:7: warning: when initialized here [-Wreorder] bondholder(Bond::BondType bt,unsigned int bs,unsigned int ni,unsigned int nsc) : ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h: In member function 'unsigned int RDKit::Canon::AtomCompareFunctor::getAtomRingNbrCode(unsigned int) const': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/new_canon.h:220:21: warning: unused variable 'at' [-Wunused-variable] const Atom *at=dp_atoms[i].atom; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 78%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Table.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdchem_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdchem.dir/Table.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/Table.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 78%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdmolfiles_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/ForwardSDMolSupplier.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 78%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Atom.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdchem_EXPORTS -O2 -g -pipe -Wall 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-O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/SmilesMolSupplier.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 80%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/Mol.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdchem_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code 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-DRDK_64BIT_BUILD -Drdchem_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdchem.dir/EditableMol.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/EditableMol.cpp Linking CXX shared module ../../../rdkit/Chem/rdmolfiles.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdmolfiles.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdmolfiles.so -o ../../../rdkit/Chem/rdmolfiles.so CMakeFiles/rdmolfiles.dir/rdmolfiles.cpp.o CMakeFiles/rdmolfiles.dir/ForwardSDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SDMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/TDTMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesMolSupplier.cpp.o CMakeFiles/rdmolfiles.dir/SmilesWriter.cpp.o CMakeFiles/rdmolfiles.dir/SDWriter.cpp.o CMakeFiles/rdmolfiles.dir/TDTWriter.cpp.o CMakeFiles/rdmolfiles.dir/PDBWriter.cpp.o ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory 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Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/MonomerInfo.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdchem_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdchem.dir/MonomerInfo.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/MonomerInfo.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /usr/include/numpy/oldnumeric.h:1, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/rdmolops.cpp:15: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 83%] Building CXX object Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/MolOps.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdmolops_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdmolops.dir/MolOps.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/MolOps.cpp Linking CXX shared module ../../../rdkit/Chem/rdchem.so cd 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../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/MolOps.cpp:14: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 77 78 79 [ 83%] Built target rdchem make -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DependInfo.cmake --color= Scanning dependencies of target Descriptors make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make 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'boost::python::tuple RDKit::getShortestPathHelper(const RDKit::ROMol&, int, int)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/MolOps.cpp:119:42: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if(aid1<0 || aid1>=mol.getNumAtoms() || ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/MolOps.cpp:120:42: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] aid2<0 || aid2>=mol.getNumAtoms() ){ ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 10 [ 84%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors && /usr/bin/c++ -DDescriptors_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/MolDescriptors.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 84%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MolSurf.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors && /usr/bin/c++ -DDescriptors_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Descriptors.dir/MolSurf.cpp.o -c 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cmake_link_script CMakeFiles/rdmolops.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdmolops.so -o ../../../rdkit/Chem/rdmolops.so CMakeFiles/rdmolops.dir/rdmolops.cpp.o CMakeFiles/rdmolops.dir/MolOps.cpp.o ../../../lib/libMolDraw2D.so.1.2015.03.1 ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libFingerprints.so.1.2015.03.1 ../../../lib/libChemTransforms.so.1.2015.03.1 ../../../lib/libCatalogs.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 -lpthread ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 85 [ 84%] Built target rdmolops make -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/UFF /builddir/build/BUILD/rdkit-Release_2015_03_1 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-I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/UFF/testUFFForceField.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 11 [ 85%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors && /usr/bin/c++ -DDescriptors_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/ConnectivityDescriptors.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/UFF/testUFFForceField.cpp: In function 'void testUFF7()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/UFF/testUFFForceField.cpp:685:41: warning: variable 'param2' set but not used [-Wunused-but-set-variable] ForceFields::UFF::AtomicParams param1,param2; ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 85%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/MQN.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors && /usr/bin/c++ -DDescriptors_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/Descriptors.dir/MQN.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/MQN.cpp Linking CXX executable testUFFForceField cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/UFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testUFFForceField.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testUFFForceField.dir/testUFFForceField.cpp.o -o testUFFForceField -rdynamic ../../../lib/libForceField.so.1.2015.03.1 ../../../lib/libOptimizer.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libMolTransforms.so.1.2015.03.1 ../../../lib/libForceFieldHelpers.so.1.2015.03.1 -lpthread ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libForceField.so.1.2015.03.1 ../../../lib/libOptimizer.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 85%] Built target testUFFForceField make -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/DependInfo.cmake --color= Scanning dependencies of target testMMFFForceField make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 92 [ 86%] Building CXX object Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/testMMFFForceField.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/testMMFFForceField.cpp: In function 'int mmffValidationSuite(int, char**)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/testMMFFForceField.cpp:293:14: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] while (i < argc) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/testMMFFForceField.cpp:304:27: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] error = ((i + 1) >= argc); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/testMMFFForceField.cpp:317:21: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if ((i + 1) < argc) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/testMMFFForceField.cpp:327:27: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] error = ((i + 1) >= argc); ^ Linking CXX shared library ../../../lib/libDescriptors.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/Descriptors.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libDescriptors.so.1 -o ../../../lib/libDescriptors.so.1.2015.03.1 CMakeFiles/Descriptors.dir/Crippen.cpp.o CMakeFiles/Descriptors.dir/MolDescriptors.cpp.o CMakeFiles/Descriptors.dir/MolSurf.cpp.o CMakeFiles/Descriptors.dir/Lipinski.cpp.o CMakeFiles/Descriptors.dir/ConnectivityDescriptors.cpp.o CMakeFiles/Descriptors.dir/MQN.cpp.o ../../../lib/libPartialCharges.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 -lpthread ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libDescriptors.so.1.2015.03.1 ../../../lib/libDescriptors.so.1 ../../../lib/libDescriptors.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 10 11 [ 86%] Built target Descriptors make -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake --color= Scanning dependencies of target graphmolMolOpsTest make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 86%] Building CXX object Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/molopstest.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/testMMFFForceField.cpp:1353:11: warning: 'failed' may be used uninitialized in this function [-Wmaybe-uninitialized] if (!failed) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/molopstest.cpp: In function 'void testGithubIssue418()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/molopstest.cpp:4624:14: warning: unused variable 'm' [-Wunused-variable] RWMol *m = SmilesToMol(smiles); ^ Linking CXX executable testMMFFForceField cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMMFFForceField.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testMMFFForceField.dir/testMMFFForceField.cpp.o -o testMMFFForceField -rdynamic ../../../lib/libDistGeomHelpers.so.1.2015.03.1 ../../../lib/libDistGeometry.so.1.2015.03.1 ../../../lib/libForceFieldHelpers.so.1.2015.03.1 ../../../lib/libForceField.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libMolTransforms.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libMolAlign.so.1.2015.03.1 ../../../lib/libOptimizer.so.1.2015.03.1 ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libAlignment.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread ../../../lib/libMolTransforms.so.1.2015.03.1 ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 -lpthread ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 92 [ 86%] Built target testMMFFForceField make -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmolTest1.dir/DependInfo.cmake --color= Scanning dependencies of target graphmolTest1 make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 63 [ 87%] Building CXX object Code/GraphMol/CMakeFiles/graphmolTest1.dir/test1.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/graphmolTest1.dir/test1.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/test1.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/RDKitBase.h:20:0, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/test1.cpp:12: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/test1.cpp: In function 'void testIssue2381580()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/test1.cpp:736:142: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] TEST_ASSERT(m->getAtomWithIdx(0)->getExplicitValence()+m->getAtomWithIdx(0)->getImplicitValence()==m->getAtomWithIdx(0)->getTotalValence()); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/Invariant.h:139:36: note: in definition of macro 'TEST_ASSERT' #define TEST_ASSERT( expr ) if ( !(expr) ) {\ ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/test1.cpp:737:142: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] TEST_ASSERT(m->getAtomWithIdx(1)->getExplicitValence()+m->getAtomWithIdx(1)->getImplicitValence()==m->getAtomWithIdx(1)->getTotalValence()); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/Invariant.h:139:36: note: in definition of macro 'TEST_ASSERT' #define TEST_ASSERT( expr ) if ( !(expr) ) {\ ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/test1.cpp:738:142: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] TEST_ASSERT(m->getAtomWithIdx(2)->getExplicitValence()+m->getAtomWithIdx(2)->getImplicitValence()==m->getAtomWithIdx(2)->getTotalValence()); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/Invariant.h:139:36: note: in definition of macro 'TEST_ASSERT' #define TEST_ASSERT( expr ) if ( !(expr) ) {\ ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/test1.cpp:739:142: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] TEST_ASSERT(m->getAtomWithIdx(3)->getExplicitValence()+m->getAtomWithIdx(3)->getImplicitValence()==m->getAtomWithIdx(3)->getTotalValence()); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/Invariant.h:139:36: note: in definition of macro 'TEST_ASSERT' #define TEST_ASSERT( expr ) if ( !(expr) ) {\ ^ Linking CXX executable graphmolTest1 cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolTest1.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/graphmolTest1.dir/test1.cpp.o -o graphmolTest1 -rdynamic ../../lib/libFileParsers.so.1.2015.03.1 ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 63 [ 87%] Built target graphmolTest1 make -f Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/DependInfo.cmake --color= Scanning dependencies of target testDepictor make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 87%] Building CXX object Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/testDepictor.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testDepictor.dir/testDepictor.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/testDepictor.cpp Linking CXX executable testDepictor cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDepictor.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testDepictor.dir/testDepictor.cpp.o -o testDepictor -rdynamic ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libChemTransforms.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 87%] Built target testDepictor make -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DependInfo.cmake --color= Scanning dependencies of target ChemReactions make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 87%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/Reaction.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/c++ -DChemReactions_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemReactions.dir/Reaction.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/Reaction.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 87%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MDLParser.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/c++ -DChemReactions_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/MDLParser.cpp Linking CXX executable graphmolMolOpsTest cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol && /usr/bin/cmake -E cmake_link_script CMakeFiles/graphmolMolOpsTest.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/graphmolMolOpsTest.dir/molopstest.cpp.o -o graphmolMolOpsTest -rdynamic ../../lib/libSubstructMatch.so.1.2015.03.1 ../../lib/libFileParsers.so.1.2015.03.1 ../../lib/libSmilesParse.so.1.2015.03.1 ../../lib/libGraphMol.so.1.2015.03.1 ../../lib/libRDGeometryLib.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 ../../lib/libDataStructs.so.1.2015.03.1 ../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 87%] Built target graphmolMolOpsTest make -f Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/DependInfo.cmake --color= Scanning dependencies of target testFragCatalog make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f 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/builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 2 [ 89%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/c++ -DChemReactions_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/DaylightParser.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 89%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/c++ -DChemReactions_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionPickler.cpp Linking CXX executable testFragCatalog cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFragCatalog.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testFragCatalog.dir/test1.cpp.o -o testFragCatalog -rdynamic ../../../lib/libFragCatalog.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libCatalogs.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 91 [ 89%] Built target testFragCatalog make -f Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build.make Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/DependInfo.cmake --color= Scanning dependencies of target rdfragcatalog make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build.make Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build make[2]: Entering directory 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Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/c++ -DChemReactions_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionWriter.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 90%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdfragcatalog_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap/FragCatalog.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 3 [ 91%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/c++ -DChemReactions_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionDepict.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 91%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/c++ -DChemReactions_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 91%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdfragcatalog_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap/FragCatParams.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/RDKitBase.h:20:0, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp:33: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp: In function 'RDKit::SparseIntVect* RDKit::DifferenceFingerprintChemReaction(const RDKit::ChemicalReaction&, const RDKit::ReactionFingerprintParams&)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionFingerprints.cpp:223:28: warning: suggest parentheses around comparison in operand of '&' [-Wparentheses] PRECONDITION(params.fpType>0 & params.fpType<4 ,"Fingerprinttype not supported"); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/Invariant.h:119:43: note: in definition of macro 'PRECONDITION' #define PRECONDITION( expr, mess ) if ( !(expr) ) {\ ^ /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 91%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/c++ -DChemReactions_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionUtils.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 81 [ 92%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdfragcatalog_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap/FragCatGenerator.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 4 [ 93%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/c++ -DChemReactions_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/MoleculeParser.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 93%] Building CXX object Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/c++ -DChemReactions_EXPORTS -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionRunner.cpp /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 93%] Building CXX object Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -Drdfragcatalog_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap/FragFPGenerator.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionRunner.cpp: In function 'void RDKit::ReactionRunnerUtils::addMissingProductAtom(const RDKit::Atom&, unsigned int, unsigned int, RDKit::RWMOL_SPTR, const RDKit::ROMol&, RDKit::ReactionRunnerUtils::ReactantProductAtomMapping*)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/ReactionRunner.cpp:421:20: warning: unused variable 'endIdx' [-Wunused-variable] unsigned int endIdx=origB->getEndAtomIdx(); ^ Linking CXX shared library ../../../lib/libChemReactions.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_link_script CMakeFiles/ChemReactions.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,libChemReactions.so.1 -o ../../../lib/libChemReactions.so.1.2015.03.1 CMakeFiles/ChemReactions.dir/Reaction.cpp.o CMakeFiles/ChemReactions.dir/MDLParser.cpp.o CMakeFiles/ChemReactions.dir/DaylightParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionPickler.cpp.o CMakeFiles/ChemReactions.dir/ReactionWriter.cpp.o CMakeFiles/ChemReactions.dir/ReactionDepict.cpp.o CMakeFiles/ChemReactions.dir/ReactionFingerprints.cpp.o CMakeFiles/ChemReactions.dir/ReactionUtils.cpp.o CMakeFiles/ChemReactions.dir/MoleculeParser.cpp.o CMakeFiles/ChemReactions.dir/ReactionRunner.cpp.o ../../../lib/libDescriptors.so.1.2015.03.1 ../../../lib/libFingerprints.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libChemTransforms.so.1.2015.03.1 ../../../lib/libPartialCharges.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions && /usr/bin/cmake -E cmake_symlink_library ../../../lib/libChemReactions.so.1.2015.03.1 ../../../lib/libChemReactions.so.1 ../../../lib/libChemReactions.so make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 2 3 4 [ 93%] Built target ChemReactions make -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/DependInfo.cmake --color= Scanning dependencies of target testDescriptors make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 93%] Building CXX object Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/test.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testDescriptors.dir/test.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/test.cpp Linking CXX shared module ../../../../rdkit/Chem/rdfragcatalog.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdfragcatalog.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdfragcatalog.so -o ../../../../rdkit/Chem/rdfragcatalog.so CMakeFiles/rdfragcatalog.dir/rdfragcatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatalog.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatParams.cpp.o CMakeFiles/rdfragcatalog.dir/FragCatGenerator.cpp.o CMakeFiles/rdfragcatalog.dir/FragFPGenerator.cpp.o ../../../../lib/libFragCatalog.so.1.2015.03.1 ../../../../lib/libSubgraphs.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libCatalogs.so.1.2015.03.1 ../../../../lib/libFileParsers.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 ../../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 80 81 [ 93%] Built target rdfragcatalog make -f Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build.make Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/DependInfo.cmake --color= Scanning dependencies of target rdMolDescriptors make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build.make Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 74 [ 94%] Building CXX object Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdMolDescriptors_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap/rdMolDescriptors.cpp:14: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ Linking CXX executable testDescriptors cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors && /usr/bin/cmake -E cmake_link_script CMakeFiles/testDescriptors.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testDescriptors.dir/test.cpp.o -o testDescriptors -rdynamic ../../../lib/libPartialCharges.so.1.2015.03.1 ../../../lib/libDescriptors.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 -lpthread ../../../lib/libPartialCharges.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 94%] Built target testDescriptors make -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/DependInfo.cmake --color= Scanning dependencies of target testFingerprints make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 94%] Building CXX object Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/test1.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testFingerprints.dir/test1.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/test1.cpp In file included from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/RDKitBase.h:20:0, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/test1.cpp:12: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/test1.cpp: In function 'void testMorganAtomInfo()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/test1.cpp:1756:59: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] TEST_ASSERT(iter->second==bitInfo[iter->first].size()); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/Invariant.h:139:36: note: in definition of macro 'TEST_ASSERT' #define TEST_ASSERT( expr ) if ( !(expr) ) {\ ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/test1.cpp:1770:59: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] TEST_ASSERT(iter->second==bitInfo[iter->first].size()); ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/Invariant.h:139:36: note: in definition of macro 'TEST_ASSERT' #define TEST_ASSERT( expr ) if ( !(expr) ) {\ ^ Linking CXX shared module ../../../../rdkit/Chem/rdMolDescriptors.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolDescriptors.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdMolDescriptors.so -o ../../../../rdkit/Chem/rdMolDescriptors.so CMakeFiles/rdMolDescriptors.dir/rdMolDescriptors.cpp.o ../../../../lib/libDescriptors.so.1.2015.03.1 ../../../../lib/libPartialCharges.so.1.2015.03.1 ../../../../lib/libFingerprints.so.1.2015.03.1 ../../../../lib/libFileParsers.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libSubgraphs.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 74 [ 94%] Built target rdMolDescriptors make -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/DependInfo.cmake --color= Scanning dependencies of target testMolAlign make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 94%] Building CXX object Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/testMolAlign.cpp Linking CXX executable testFingerprints cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints && /usr/bin/cmake -E cmake_link_script CMakeFiles/testFingerprints.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testFingerprints.dir/test1.cpp.o -o testFingerprints -rdynamic ../../../lib/libFingerprints.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 94%] Built target testFingerprints make -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/DependInfo.cmake --color= Scanning dependencies of target rdMolAlign make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 72 [ 95%] Building CXX object Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdMolAlign_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp Linking CXX executable testMolAlign cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign && /usr/bin/cmake -E cmake_link_script CMakeFiles/testMolAlign.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/testMolAlign.dir/testMolAlign.cpp.o -o testMolAlign -rdynamic ../../../lib/libMolAlign.so.1.2015.03.1 ../../../lib/libDescriptors.so.1.2015.03.1 ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libDistGeomHelpers.so.1.2015.03.1 ../../../lib/libMolTransforms.so.1.2015.03.1 ../../../lib/libForceFieldHelpers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libDistGeometry.so.1.2015.03.1 ../../../lib/libForceField.so.1.2015.03.1 ../../../lib/libOptimizer.so.1.2015.03.1 ../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../lib/libAlignment.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 -lpthread ../../../lib/libPartialCharges.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 95%] Built target testMolAlign make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/DependInfo.cmake --color= Scanning dependencies of target moldraw2DTest1 make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 66 [ 96%] Building CXX object Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/test1.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/test1.cpp In file included from /usr/include/numpy/ndarraytypes.h:1728:0, from /usr/include/numpy/ndarrayobject.h:17, from /usr/include/numpy/arrayobject.h:15, from /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:16: /usr/include/numpy/npy_deprecated_api.h:11:2: warning: #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" [-Wcpp] #warning "Using deprecated NumPy API, disable it by #defining NPY_NO_DEPRECATED_API NPY_1_7_API_VERSION" ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp: In function 'RDKit::MolAlign::PyO3A* RDKit::MolAlign::getMMFFO3A(RDKit::ROMol&, RDKit::ROMol&, boost::python::api::object, boost::python::api::object, int, int, bool, unsigned int, unsigned int, boost::python::list, boost::python::list)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:264:81: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (((*cMap)[i].first < 0) || ((*cMap)[i].first >= prbMol.getNumAtoms()) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:265:84: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] || ((*cMap)[i].second < 0) || ((*cMap)[i].second >= refMol.getNumAtoms())) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp: In function 'boost::python::tuple RDKit::MolAlign::getMMFFO3AForConfs(RDKit::ROMol&, RDKit::ROMol&, unsigned int, boost::python::api::object, boost::python::api::object, int, bool, unsigned int, unsigned int, boost::python::list, boost::python::list)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:339:81: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (((*cMap)[i].first < 0) || ((*cMap)[i].first >= prbMol.getNumAtoms()) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:340:84: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] || ((*cMap)[i].second < 0) || ((*cMap)[i].second >= refMol.getNumAtoms())) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp: In function 'RDKit::MolAlign::PyO3A* RDKit::MolAlign::getCrippenO3A(RDKit::ROMol&, RDKit::ROMol&, boost::python::list, boost::python::list, int, int, bool, unsigned int, unsigned int, boost::python::list, boost::python::list)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:417:81: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (((*cMap)[i].first < 0) || ((*cMap)[i].first >= prbMol.getNumAtoms()) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:418:84: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] || ((*cMap)[i].second < 0) || ((*cMap)[i].second >= refMol.getNumAtoms())) { ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp: In function 'boost::python::tuple RDKit::MolAlign::getCrippenO3AForConfs(RDKit::ROMol&, RDKit::ROMol&, unsigned int, boost::python::list, boost::python::list, int, bool, unsigned int, unsigned int, boost::python::list, boost::python::list)': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:498:81: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] if (((*cMap)[i].first < 0) || ((*cMap)[i].first >= prbMol.getNumAtoms()) ^ /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/rdMolAlign.cpp:499:84: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] || ((*cMap)[i].second < 0) || ((*cMap)[i].second >= refMol.getNumAtoms())) { ^ Linking CXX executable moldraw2DTest1 cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldraw2DTest1.dir/link.txt --verbose=1 /usr/bin/c++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro CMakeFiles/moldraw2DTest1.dir/test1.cpp.o -o moldraw2DTest1 -rdynamic ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libMolDraw2D.so.1.2015.03.1 -lpthread ../../../lib/libFileParsers.so.1.2015.03.1 ../../../lib/libSmilesParse.so.1.2015.03.1 ../../../lib/libDepictor.so.1.2015.03.1 ../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../lib/libSubgraphs.so.1.2015.03.1 ../../../lib/libGraphMol.so.1.2015.03.1 ../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../lib/libDataStructs.so.1.2015.03.1 ../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 66 [ 96%] Built target moldraw2DTest1 make -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/DependInfo.cmake --color= Scanning dependencies of target rdMolDraw2D make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 96%] Building CXX object Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/Wrap && /usr/bin/c++ -DRDK_64BIT_BUILD -DrdMolDraw2D_EXPORTS -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -fPIC -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/rdMolDraw2D.dir/rdMolDraw2D.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/Wrap/rdMolDraw2D.cpp Linking CXX shared module ../../../../rdkit/Chem/rdMolAlign.so cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap && /usr/bin/cmake -E cmake_link_script CMakeFiles/rdMolAlign.dir/link.txt --verbose=1 /usr/bin/c++ -fPIC -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -Wl,-z,relro -shared -Wl,-soname,rdMolAlign.so -o ../../../../rdkit/Chem/rdMolAlign.so CMakeFiles/rdMolAlign.dir/rdMolAlign.cpp.o ../../../../lib/libMolAlign.so.1.2015.03.1 ../../../../lib/libMolTransforms.so.1.2015.03.1 ../../../../lib/libForceFieldHelpers.so.1.2015.03.1 ../../../../lib/libForceField.so.1.2015.03.1 ../../../../lib/libEigenSolvers.so.1.2015.03.1 ../../../../lib/libAlignment.so.1.2015.03.1 ../../../../lib/libOptimizer.so.1.2015.03.1 ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libDescriptors.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libRDBoost.so.1.2015.03.1 -lpython2.7 -lboost_python-mt ../../../../lib/libSubstructMatch.so.1.2015.03.1 ../../../../lib/libPartialCharges.so.1.2015.03.1 ../../../../lib/libFileParsers.so.1.2015.03.1 ../../../../lib/libSmilesParse.so.1.2015.03.1 ../../../../lib/libSubgraphs.so.1.2015.03.1 ../../../../lib/libGraphMol.so.1.2015.03.1 ../../../../lib/libRDGeometryLib.so.1.2015.03.1 ../../../../lib/libDataStructs.so.1.2015.03.1 ../../../../lib/libRDGeneral.so.1.2015.03.1 -lpthread -Wl,-rpath,/builddir/build/BUILD/rdkit-Release_2015_03_1/lib: make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 72 [ 96%] Built target rdMolAlign make -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/DependInfo.cmake --color= Scanning dependencies of target testFMCS make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 90 [ 97%] Building CXX object Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o cd /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS && /usr/bin/c++ -DRDK_64BIT_BUILD -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -O2 -g -DNDEBUG -I/usr/include/python2.7 -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -Wno-deprecated -Wno-unused-function -fno-strict-aliasing -fPIC -o CMakeFiles/testFMCS.dir/testFMCS_Unit.cpp.o -c /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/testFMCS_Unit.cpp /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/testFMCS_Unit.cpp: In function 'void test1Basics()': /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/testFMCS_Unit.cpp:93:45: warning: comparison between signed and unsigned integer expressions [-Wsign-compare] for(int i=0; iarg[n]) ^ mol_op.c:375:22: note: in expansion of macro 'PG_GETARG_DATUM' CROMol mol = PG_GETARG_DATUM(1); ^ /usr/include/pgsql/server/fmgr.h:221:29: warning: initialization makes pointer from integer without a cast [enabled by default] #define PG_GETARG_DATUM(n) (fcinfo->arg[n]) ^ mol_op.c:405:22: note: in expansion of macro 'PG_GETARG_DATUM' CROMol mol = PG_GETARG_DATUM(1); ^ mol_op.c: In function 'fmcs_mol_transition': /usr/include/pgsql/server/fmgr.h:221:29: warning: initialization makes pointer from integer without a cast [enabled by default] #define PG_GETARG_DATUM(n) (fcinfo->arg[n]) ^ mol_op.c:475:22: note: in expansion of macro 'PG_GETARG_DATUM' CROMol mol = PG_GETARG_DATUM(1); ^ In file included from rdkit.h:39:0, from mol_op.c:32: mol_op.c:481:25: warning: cast from pointer to integer of different size [-Wpointer-to-int-cast] PG_RETURN_INT32((int32)lst); ^ /usr/include/pgsql/server/postgres.h:316:39: note: in definition of macro 'SET_4_BYTES' #define SET_4_BYTES(value) (((Datum) (value)) & 0xffffffff) ^ /usr/include/pgsql/server/fmgr.h:295:36: note: in expansion of macro 'Int32GetDatum' #define PG_RETURN_INT32(x) return Int32GetDatum(x) ^ mol_op.c:481:9: note: in expansion of macro 'PG_RETURN_INT32' PG_RETURN_INT32((int32)lst); ^ In file included from mol_op.c:33:0: /usr/include/pgsql/server/fmgr.h:221:29: warning: initialization makes pointer from integer without a cast [enabled by default] #define PG_GETARG_DATUM(n) (fcinfo->arg[n]) ^ mol_op.c:486:22: note: in expansion of macro 'PG_GETARG_DATUM' CROMol mol = PG_GETARG_DATUM(1); ^ gcc -I/usr/local/include -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -DRDKITVER='"007300"' -I. -I. -I/usr/include/pgsql/server -I/usr/include/pgsql/internal -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o bfp_op.o bfp_op.c gcc -I/usr/local/include -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -DRDKITVER='"007300"' -I. -I. -I/usr/include/pgsql/server -I/usr/include/pgsql/internal -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o sfp_op.o sfp_op.c gcc -I/usr/local/include -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -DRDKITVER='"007300"' -I. -I. -I/usr/include/pgsql/server -I/usr/include/pgsql/internal -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o rxn_op.o rxn_op.c gcc -I/usr/local/include -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -DRDKITVER='"007300"' -I. -I. -I/usr/include/pgsql/server -I/usr/include/pgsql/internal -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o rdkit_gist.o rdkit_gist.c gcc -I/usr/local/include -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -DRDKITVER='"007300"' -I. -I. -I/usr/include/pgsql/server -I/usr/include/pgsql/internal -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o low_gist.o low_gist.c gcc -I/usr/local/include -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -DRDKITVER='"007300"' -I. -I. -I/usr/include/pgsql/server -I/usr/include/pgsql/internal -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o guc.o guc.c gcc -I/usr/local/include -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -DRDKITVER='"007300"' -I. -I. -I/usr/include/pgsql/server -I/usr/include/pgsql/internal -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o cache.o cache.c g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -Wno-unused-function -I/usr/local/include -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -DRDKITVER='"007300"' -I/usr/local/include -I/builddir/build/BUILD/rdkit-Release_2015_03_1/Code -DRDKITVER='"007300"' -I. -I. -I/usr/include/pgsql/server -I/usr/include/pgsql/internal -D_GNU_SOURCE -I/usr/include/libxml2 -fPIC -c -o adapter.o adapter.cpp adapter.cpp: In function 'void* makeReactionDifferenceSFP(CChemicalReaction, int, int)': adapter.cpp:1869:18: warning: unused variable 'fp' [-Wunused-variable] FingerprintType fp = static_cast(fpType); ^ adapter.cpp: In function 'void* makeReactionBFP(CChemicalReaction, int, int)': adapter.cpp:1892:20: warning: unused variable 'fp' [-Wunused-variable] FingerprintType fp = static_cast(fpType); ^ adapter.cpp: In function 'char* findMCSsmiles(char*, char*)': adapter.cpp:1952:15: warning: unused variable 'nmols' [-Wunused-variable] int len, nmols=0; ^ g++ -O2 -g -pipe -Wall -Wp,-D_FORTIFY_SOURCE=2 -fexceptions -fstack-protector-strong --param=ssp-buffer-size=4 -grecord-gcc-switches -m64 -mtune=generic -DLINUX_OOM_SCORE_ADJ=0 -Wall -Wmissing-prototypes -Wpointer-arith -Wdeclaration-after-statement -Wendif-labels -Wmissing-format-attribute -Wformat-security -fno-strict-aliasing -fwrapv -fexcess-precision=standard -fpic -shared -o rdkit.so rdkit_io.o mol_op.o bfp_op.o sfp_op.o rxn_op.o rdkit_gist.o low_gist.o guc.o cache.o adapter.o -L/usr/lib64 -Wl,-z,relro -Wl,--as-needed -L/builddir/build/BUILD/rdkit-Release_2015_03_1/lib -Wl,-rpath,'/builddir/build/BUILD/rdkit-Release_2015_03_1/lib' -lMolHash -lFMCS -lChemReactions -lChemTransforms -lFileParsers -lSmilesParse -lFingerprints -lSubgraphs -lDescriptors -lPartialCharges -lSubstructMatch -lGraphMol -lDataStructs -lDepictor -lRDGeometryLib -lRDGeneral -pthread + chrpath -d rdkit.so + popd ~/build/BUILD/rdkit-Release_2015_03_1 + exit 0 Executing(%install): /bin/sh -e /var/tmp/rpm-tmp.DzuHUX + umask 022 + cd /builddir/build/BUILD + '[' /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64 '!=' / ']' + rm -rf /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64 ++ dirname /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64 + mkdir -p /builddir/build/BUILDROOT + mkdir /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64 + cd rdkit-Release_2015_03_1 + make install DESTDIR=/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64 /usr/bin/cmake -H/builddir/build/BUILD/rdkit-Release_2015_03_1 -B/builddir/build/BUILD/rdkit-Release_2015_03_1 --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles/progress.marks make -f CMakeFiles/Makefile2 all make[1]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/RDGeneral/CMakeFiles/RDGeneral.dir/build.make Code/RDGeneral/CMakeFiles/RDGeneral.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/CMakeFiles/RDGeneral.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/RDGeneral/CMakeFiles/RDGeneral.dir/build.make Code/RDGeneral/CMakeFiles/RDGeneral.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/RDGeneral/CMakeFiles/RDGeneral.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 49 50 [ 2%] Built target RDGeneral make -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/CMakeFiles/DataStructs.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/DataStructs/CMakeFiles/DataStructs.dir/build.make Code/DataStructs/CMakeFiles/DataStructs.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/DataStructs/CMakeFiles/DataStructs.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 6 7 8 [ 5%] Built target DataStructs make -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/CMakeFiles/RDGeometryLib.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Geometry/CMakeFiles/RDGeometryLib.dir/build.make Code/Geometry/CMakeFiles/RDGeometryLib.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Geometry/CMakeFiles/RDGeometryLib.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 51 [ 6%] Built target RDGeometryLib make -f Code/GraphMol/CMakeFiles/GraphMol.dir/build.make Code/GraphMol/CMakeFiles/GraphMol.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/GraphMol.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/GraphMol.dir/build.make Code/GraphMol/CMakeFiles/GraphMol.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/GraphMol.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 34 35 36 37 38 39 40 41 [ 14%] Built target GraphMol make -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Substruct/CMakeFiles/SubstructMatch.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 14%] Built target SubstructMatch make -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Depictor/CMakeFiles/Depictor.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 9 [ 15%] Built target Depictor make -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/SmilesParse/CMakeFiles/SmilesParse.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 55 56 57 [ 18%] Built target SmilesParse make -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/CMakeFiles/RDInchiLib.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f External/INCHI-API/CMakeFiles/RDInchiLib.dir/build.make External/INCHI-API/CMakeFiles/RDInchiLib.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `External/INCHI-API/CMakeFiles/RDInchiLib.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 18%] Built target RDInchiLib make -f External/INCHI-API/CMakeFiles/inchi_support.dir/build.make External/INCHI-API/CMakeFiles/inchi_support.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/CMakeFiles/inchi_support.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f External/INCHI-API/CMakeFiles/inchi_support.dir/build.make External/INCHI-API/CMakeFiles/inchi_support.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API && /usr/bin/cmake -E copy /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/python/inchi.py /builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/Chem/inchi.py make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 18%] Built target inchi_support make -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/PartialCharges/CMakeFiles/PartialCharges.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 48 [ 19%] Built target PartialCharges make -f Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FileParsers/CMakeFiles/FileParsers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 16 17 18 19 20 21 [ 25%] Built target FileParsers make -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Subgraphs/CMakeFiles/Subgraphs.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 58 [ 26%] Built target Subgraphs make -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Descriptors/CMakeFiles/Descriptors.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 10 11 [ 28%] Built target Descriptors make -f External/INCHI-API/CMakeFiles/testInchi.dir/build.make External/INCHI-API/CMakeFiles/testInchi.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/CMakeFiles/testInchi.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f External/INCHI-API/CMakeFiles/testInchi.dir/build.make External/INCHI-API/CMakeFiles/testInchi.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `External/INCHI-API/CMakeFiles/testInchi.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 28%] Built target testInchi make -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDBoost /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDBoost /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDBoost/CMakeFiles/RDBoost.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/RDBoost/CMakeFiles/RDBoost.dir/build.make Code/RDBoost/CMakeFiles/RDBoost.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/RDBoost/CMakeFiles/RDBoost.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 28%] Built target RDBoost make -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build.make External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `External/INCHI-API/Wrap/CMakeFiles/rdinchi.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 28%] Built target rdinchi make -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/CMakeFiles/testDict.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/RDGeneral/CMakeFiles/testDict.dir/build.make Code/RDGeneral/CMakeFiles/testDict.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/RDGeneral/CMakeFiles/testDict.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 89 [ 29%] Built target testDict make -f Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build.make Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDBoost/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDBoost/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build.make Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/RDBoost/Wrap/CMakeFiles/rdBase.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 29%] Built target rdBase make -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/CMakeFiles/testDataStructs.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/DataStructs/CMakeFiles/testDataStructs.dir/build.make Code/DataStructs/CMakeFiles/testDataStructs.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/DataStructs/CMakeFiles/testDataStructs.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 88 [ 30%] Built target testDataStructs make -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build.make Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/DataStructs/Wrap/CMakeFiles/cDataStructs.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 59 60 61 [ 33%] Built target cDataStructs make -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/CMakeFiles/testGrid.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Geometry/CMakeFiles/testGrid.dir/build.make Code/Geometry/CMakeFiles/testGrid.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Geometry/CMakeFiles/testGrid.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 33%] Built target testGrid make -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/CMakeFiles/testTransforms.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Geometry/CMakeFiles/testTransforms.dir/build.make Code/Geometry/CMakeFiles/testTransforms.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Geometry/CMakeFiles/testTransforms.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 33%] Built target testTransforms make -f Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build.make Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build.make Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Geometry/Wrap/CMakeFiles/rdGeometry.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 70 [ 34%] Built target rdGeometry make -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/CMakeFiles/testMatrices.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Numerics/CMakeFiles/testMatrices.dir/build.make Code/Numerics/CMakeFiles/testMatrices.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Numerics/CMakeFiles/testMatrices.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 93 [ 35%] Built target testMatrices make -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/CMakeFiles/Alignment.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Numerics/Alignment/CMakeFiles/Alignment.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 35%] Built target Alignment make -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build.make Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Numerics/Alignment/CMakeFiles/testAlignment.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 87 [ 36%] Built target testAlignment make -f Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build.make Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build.make Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Numerics/Alignment/Wrap/CMakeFiles/rdAlignment.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 36%] Built target rdAlignment make -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/EigenSolvers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/EigenSolvers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build.make Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Numerics/EigenSolvers/CMakeFiles/EigenSolvers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 14 [ 37%] Built target EigenSolvers make -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Numerics/Optimizer/CMakeFiles/Optimizer.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 47 [ 38%] Built target Optimizer make -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build.make Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Numerics/Optimizer/CMakeFiles/testOptimizer.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 38%] Built target testOptimizer make -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/CMakeFiles/ForceField.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ForceField/CMakeFiles/ForceField.dir/build.make Code/ForceField/CMakeFiles/ForceField.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ForceField/CMakeFiles/ForceField.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 24 25 26 27 28 29 30 [ 45%] Built target ForceField make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ForceFieldHelpers/CMakeFiles/ForceFieldHelpers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 31 [ 46%] Built target ForceFieldHelpers make -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolTransforms/CMakeFiles/MolTransforms.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 46%] Built target MolTransforms make -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/UFF /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/UFF /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build.make Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ForceField/UFF/CMakeFiles/testUFFForceField.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 46%] Built target testUFFForceField make -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolAlign/CMakeFiles/MolAlign.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 46%] Built target MolAlign make -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom/CMakeFiles/DistGeometry.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/DistGeom/CMakeFiles/DistGeometry.dir/build.make Code/DistGeom/CMakeFiles/DistGeometry.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/DistGeom/CMakeFiles/DistGeometry.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 13 [ 47%] Built target DistGeometry make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/DistGeomHelpers/CMakeFiles/DistGeomHelpers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 12 [ 48%] Built target DistGeomHelpers make -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build.make Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ForceField/MMFF/CMakeFiles/testMMFFForceField.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 92 [ 49%] Built target testMMFFForceField make -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build.make Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ForceField/Wrap/CMakeFiles/rdForceField.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 69 [ 50%] Built target rdForceField make -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom/CMakeFiles/testDistGeom.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/DistGeom/CMakeFiles/testDistGeom.dir/build.make Code/DistGeom/CMakeFiles/testDistGeom.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/DistGeom/CMakeFiles/testDistGeom.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 50%] Built target testDistGeom make -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build.make Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/DistGeom/Wrap/CMakeFiles/DistGeom.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 50%] Built target DistGeom make -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Catalogs /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Catalogs /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Catalogs/CMakeFiles/Catalogs.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Catalogs/CMakeFiles/Catalogs.dir/build.make Code/Catalogs/CMakeFiles/Catalogs.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Catalogs/CMakeFiles/Catalogs.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 1 [ 51%] Built target Catalogs make -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmolIterTest.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/graphmolIterTest.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 62 [ 52%] Built target graphmolIterTest make -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/graphmolMemTest1.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 52%] Built target graphmolMemTest1 make -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/graphmolMolOpsTest.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 52%] Built target graphmolMolOpsTest make -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmolTest1.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmolTest1.dir/build.make Code/GraphMol/CMakeFiles/graphmolTest1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/graphmolTest1.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 63 [ 53%] Built target graphmolTest1 make -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmolcpTest.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/graphmolcpTest.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 53%] Built target graphmolcpTest make -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build.make Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/graphmolqueryTest.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 53%] Built target graphmolqueryTest make -f Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/graphmoltestCanon.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 64 [ 54%] Built target graphmoltestCanon make -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/graphmoltestChirality.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 54%] Built target graphmoltestChirality make -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build.make Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/graphmoltestPickler.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 54%] Built target graphmoltestPickler make -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/CMakeFiles/hanoiTest.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/CMakeFiles/hanoiTest.dir/build.make Code/GraphMol/CMakeFiles/hanoiTest.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/CMakeFiles/hanoiTest.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 65 [ 55%] Built target hanoiTest make -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ChemTransforms/CMakeFiles/ChemTransforms.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 5 [ 56%] Built target ChemTransforms make -f Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build.make Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Depictor/CMakeFiles/testDepictor.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 56%] Built target testDepictor make -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build.make Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Depictor/Wrap/CMakeFiles/rdDepictor.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 68 [ 57%] Built target rdDepictor make -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/SmilesParse/CMakeFiles/smaTest1.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 57%] Built target smaTest1 make -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build.make Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/SmilesParse/CMakeFiles/smiTest1.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 57%] Built target smiTest1 make -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FileParsers/CMakeFiles/fileParsersTest1.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 57%] Built target fileParsersTest1 make -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FileParsers/CMakeFiles/testMol2ToMol.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 57%] Built target testMol2ToMol make -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FileParsers/CMakeFiles/testMolSupplier.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 57%] Built target testMolSupplier make -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FileParsers/CMakeFiles/testMolWriter.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 57%] Built target testMolWriter make -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build.make Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FileParsers/CMakeFiles/testTplParser.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 99 [ 58%] Built target testTplParser make -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build.make Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Substruct/CMakeFiles/testSubstructMatch.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 58%] Built target testSubstructMatch make -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Fingerprints/CMakeFiles/Fingerprints.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 22 23 [ 60%] Built target Fingerprints make -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ChemReactions/CMakeFiles/ChemReactions.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 2 3 4 [ 63%] Built target ChemReactions make -f Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ChemReactions/CMakeFiles/testReaction.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 63%] Built target testReaction make -f Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build.make Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ChemReactions/CMakeFiles/testReactionFingerprints.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 97 [ 64%] Built target testReactionFingerprints make -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build.make Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ChemReactions/Wrap/CMakeFiles/rdChemReactions.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 67 [ 65%] Built target rdChemReactions make -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build.make Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ChemTransforms/CMakeFiles/testChemTransforms.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 65%] Built target testChemTransforms make -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs1.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 98 [ 66%] Built target testSubgraphs1 make -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build.make Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Subgraphs/CMakeFiles/testSubgraphs2.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 66%] Built target testSubgraphs2 make -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FragCatalog/CMakeFiles/FragCatalog.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 32 33 [ 68%] Built target FragCatalog make -f Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build.make Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FragCatalog/CMakeFiles/testFragCatalog.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 91 [ 69%] Built target testFragCatalog make -f Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build.make Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build.make Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FragCatalog/Wrap/CMakeFiles/rdfragcatalog.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 80 81 [ 71%] Built target rdfragcatalog make -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build.make Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Descriptors/CMakeFiles/testDescriptors.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 71%] Built target testDescriptors make -f Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build.make Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build.make Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Descriptors/Wrap/CMakeFiles/rdMolDescriptors.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 74 [ 72%] Built target rdMolDescriptors make -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build.make Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Fingerprints/CMakeFiles/testFingerprints.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 72%] Built target testFingerprints make -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build.make Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/PartialCharges/CMakeFiles/testPartialCharges.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 96 [ 73%] Built target testPartialCharges make -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build.make Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/PartialCharges/Wrap/CMakeFiles/rdPartialCharges.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 73%] Built target rdPartialCharges make -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build.make Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolTransforms/CMakeFiles/testMolTransforms.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 95 [ 74%] Built target testMolTransforms make -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build.make Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolTransforms/Wrap/CMakeFiles/rdMolTransforms.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 75 [ 75%] Built target rdMolTransforms make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ForceFieldHelpers/MMFF/CMakeFiles/testMMFFForceFieldHelpers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 75%] Built target testMMFFForceFieldHelpers make -f Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ForceFieldHelpers/UFF/CMakeFiles/testUFFForceFieldHelpers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 100 [ 76%] Built target testUFFForceFieldHelpers make -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build.make Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ForceFieldHelpers/Wrap/CMakeFiles/rdForceFieldHelpers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 76%] Built target rdForceFieldHelpers make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build.make Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/DistGeomHelpers/CMakeFiles/testDistGeomHelpers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 76%] Built target testDistGeomHelpers make -f Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build.make Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build.make Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/DistGeomHelpers/Wrap/CMakeFiles/rdDistGeom.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 76%] Built target rdDistGeom make -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build.make Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolAlign/CMakeFiles/testMolAlign.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 76%] Built target testMolAlign make -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build.make Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolAlign/Wrap/CMakeFiles/rdMolAlign.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 72 [ 77%] Built target rdMolAlign make -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolChemicalFeatures/CMakeFiles/MolChemicalFeatures.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 44 [ 78%] Built target MolChemicalFeatures make -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolChemicalFeatures/CMakeFiles/testFeatures.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 78%] Built target testFeatures make -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build.make Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolChemicalFeatures/Wrap/CMakeFiles/rdMolChemicalFeatures.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 73 [ 79%] Built target rdMolChemicalFeatures make -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ShapeHelpers/CMakeFiles/ShapeHelpers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 79%] Built target ShapeHelpers make -f Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ShapeHelpers/CMakeFiles/testShapeHelpers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 79%] Built target testShapeHelpers make -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build.make Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/ShapeHelpers/Wrap/CMakeFiles/rdShapeHelpers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 79%] Built target rdShapeHelpers make -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolCatalog/CMakeFiles/MolCatalog.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 43 [ 80%] Built target MolCatalog make -f Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build.make Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolCatalog/CMakeFiles/testMolCatalog.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 94 [ 81%] Built target testMolCatalog make -f Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build.make Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build.make Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolCatalog/Wrap/CMakeFiles/rdMolCatalog.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 81%] Built target rdMolCatalog make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolDraw2D/CMakeFiles/MolDraw2D.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 45 [ 82%] Built target MolDraw2D make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build.make Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolDraw2D/CMakeFiles/moldraw2DTest1.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 66 [ 83%] Built target moldraw2DTest1 make -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build.make Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolDraw2D/Wrap/CMakeFiles/rdMolDraw2D.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 83%] Built target rdMolDraw2D make -f Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FMCS/CMakeFiles/FMCS.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 15 [ 84%] Built target FMCS make -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build.make Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FMCS/CMakeFiles/testFMCS.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 90 [ 85%] Built target testFMCS make -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build.make Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FMCS/Wrap/CMakeFiles/rdFMCS.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 85%] Built target rdFMCS make -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Test /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Test /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build.make Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/FMCS/Test/CMakeFiles/FMCStest.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 85%] Built target FMCStest make -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolHash/CMakeFiles/MolHash.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 46 [ 86%] Built target MolHash make -f Code/GraphMol/MolHash/CMakeFiles/testMolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/testMolHash.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash/CMakeFiles/testMolHash.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolHash/CMakeFiles/testMolHash.dir/build.make Code/GraphMol/MolHash/CMakeFiles/testMolHash.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolHash/CMakeFiles/testMolHash.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 86%] Built target testMolHash make -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build.make Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/MolHash/Wrap/CMakeFiles/rdMolHash.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 86%] Built target rdMolHash make -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/SLNParse/CMakeFiles/SLNParse.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 52 53 [ 88%] Built target SLNParse make -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build.make Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/SLNParse/CMakeFiles/testSLNParse.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 88%] Built target testSLNParse make -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build.make Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/SLNParse/Wrap/CMakeFiles/rdSLNParse.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 88%] Built target rdSLNParse make -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Wrap/CMakeFiles/rdchem.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 77 78 79 [ 91%] Built target rdchem make -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Wrap/CMakeFiles/rdmolfiles.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 82 83 84 [ 94%] Built target rdmolfiles make -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Wrap/CMakeFiles/rdmolops.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 85 [ 95%] Built target rdmolops make -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build.make Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/GraphMol/Wrap/CMakeFiles/rdqueries.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 86 [ 96%] Built target rdqueries make -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Query /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Query /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Query/CMakeFiles/testQuery.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/Query/CMakeFiles/testQuery.dir/build.make Code/Query/CMakeFiles/testQuery.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/Query/CMakeFiles/testQuery.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 96%] Built target testQuery make -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataManip/MetricMatrixCalc /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataManip/MetricMatrixCalc /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build.make Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/DataManip/MetricMatrixCalc/CMakeFiles/testMatCalc.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 96%] Built target testMatCalc make -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataManip/MetricMatrixCalc/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataManip/MetricMatrixCalc/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build.make Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/DataManip/MetricMatrixCalc/Wrap/CMakeFiles/rdMetricMatrixCalc.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 96%] Built target rdMetricMatrixCalc make -f Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ML/Cluster/Murtagh/CMakeFiles/hc.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 96%] Built target hc make -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build.make Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/SimDivPickers/CMakeFiles/SimDivPickers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 54 [ 97%] Built target SimDivPickers make -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build.make Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/SimDivPickers/Wrap/CMakeFiles/rdSimDivPickers.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 76 [ 98%] Built target rdSimDivPickers make -f Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build.make Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ML/Cluster/Murtagh/CMakeFiles/Clustering.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [ 98%] Built target Clustering make -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build.make Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ML/InfoTheory/CMakeFiles/InfoTheory.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 42 [ 99%] Built target InfoTheory make -f Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build.make Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build.make Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ML/InfoTheory/Wrap/CMakeFiles/rdInfoTheory.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 71 [100%] Built target rdInfoTheory make -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Data /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Data /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/Data/CMakeFiles/cQuantize.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ML/Data/CMakeFiles/cQuantize.dir/build.make Code/ML/Data/CMakeFiles/cQuantize.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ML/Data/CMakeFiles/cQuantize.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [100%] Built target cQuantize make -f Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ChemicalFeatures/CMakeFiles/ChemicalFeatures.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [100%] Built target ChemicalFeatures make -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build.make Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ChemicalFeatures/CMakeFiles/testChemicalFeatures.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [100%] Built target testChemicalFeatures make -f Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build.make Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/depend make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' cd /builddir/build/BUILD/rdkit-Release_2015_03_1 && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1 /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/DependInfo.cmake --color= make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make -f Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build.make Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build make[2]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[2]: Nothing to be done for `Code/ChemicalFeatures/Wrap/CMakeFiles/rdChemicalFeatures.dir/build'. make[2]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_report /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles [100%] Built target rdChemicalFeatures make[1]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' /usr/bin/cmake -E cmake_progress_start /builddir/build/BUILD/rdkit-Release_2015_03_1/CMakeFiles 0 make -f CMakeFiles/Makefile2 preinstall make[1]: Entering directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' make[1]: Nothing to be done for `preinstall'. make[1]: Leaving directory `/builddir/build/BUILD/rdkit-Release_2015_03_1' Install the project... /usr/bin/cmake -P cmake_install.cmake -- Install configuration: "RelWithDebInfo" -- Installing: /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/cmake/rdkit-targets.cmake -- Installing: /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/cmake/rdkit-targets-relwithdebinfo.cmake -- Installing: /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/cmake/rdkit-config.cmake -- Installing: /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/cmake/rdkit-config-version.cmake -- Installing: 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~/build/BUILD/rdkit-Release_2015_03_1 + make install DESTDIR=/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64 /usr/bin/mkdir -p '/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/pgsql' /usr/bin/mkdir -p '/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/pgsql/extension' /usr/bin/mkdir -p '/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/pgsql/extension' /bin/sh /usr/lib64/pgsql/pgxs/src/makefiles/../../config/install-sh -c -m 755 rdkit.so '/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/pgsql/rdkit.so' /bin/sh /usr/lib64/pgsql/pgxs/src/makefiles/../../config/install-sh -c -m 644 ./rdkit.control '/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/pgsql/extension/' /bin/sh /usr/lib64/pgsql/pgxs/src/makefiles/../../config/install-sh -c -m 644 ./rdkit--3.4.sql '/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/pgsql/extension/' + popd ~/build/BUILD/rdkit-Release_2015_03_1 + rm /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64//usr/share/RDKit/README /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64//usr/share/RDKit/license.txt + chmod a+x /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/RDKit/Contrib/M_Kossner/Frames.py ++ find /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64//usr/src -type f -perm /a+x find: '/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64//usr/src': No such file or directory + /usr/lib/rpm/find-debuginfo.sh --strict-build-id -m --run-dwz --dwz-low-mem-die-limit 10000000 --dwz-max-die-limit 110000000 /builddir/build/BUILD/rdkit-Release_2015_03_1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/pgsql/rdkit.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libChemicalFeatures.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libInfoTheory.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libhc.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libSimDivPickers.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libSLNParse.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libMolHash.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libFMCS.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libMolDraw2D.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libMolCatalog.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libShapeHelpers.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libMolChemicalFeatures.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libMolAlign.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libDistGeomHelpers.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libForceFieldHelpers.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libMolTransforms.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libPartialCharges.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libFingerprints.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libDescriptors.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libFragCatalog.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libSubgraphs.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libChemTransforms.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libChemReactions.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libSubstructMatch.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libFileParsers.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libSmilesParse.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libDepictor.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libGraphMol.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libCatalogs.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libDistGeometry.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libForceField.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libOptimizer.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libEigenSolvers.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libAlignment.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libRDGeometryLib.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libDataStructs.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libRDBoost.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libRDGeneral.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/libRDInchiLib.so.1.2015.03.1 extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/rdBase.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdChemicalFeatures.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdmolfiles.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdqueries.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdmolops.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdchem.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdSLNParse.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdMolHash.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdFMCS.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdMolCatalog.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdShapeHelpers.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdMolChemicalFeatures.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdMolAlign.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdDistGeom.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdForceFieldHelpers.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdMolTransforms.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdPartialCharges.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdMolDescriptors.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdfragcatalog.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdChemReactions.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdDepictor.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/rdinchi.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Chem/Draw/rdMolDraw2D.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/DataManip/Metric/rdMetricMatrixCalc.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/DataStructs/cDataStructs.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/DistanceGeometry/DistGeom.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/ForceField/rdForceField.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Geometry/rdGeometry.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/ML/Cluster/Clustering.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/ML/Data/cQuantize.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/ML/InfoTheory/rdInfoTheory.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/Numerics/rdAlignment.so extracting debug info from /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7/site-packages/rdkit/SimDivFilters/rdSimDivPickers.so /usr/lib/rpm/sepdebugcrcfix: Updated 72 CRC32s, 0 CRC32s did match. symlinked /usr/lib/debug/usr/lib64/libChemicalFeatures.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libChemicalFeatures.so.debug symlinked /usr/lib/debug/usr/lib64/libChemicalFeatures.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libChemicalFeatures.so.1.debug symlinked /usr/lib/debug/usr/lib64/libInfoTheory.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libInfoTheory.so.debug symlinked /usr/lib/debug/usr/lib64/libInfoTheory.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libInfoTheory.so.1.debug symlinked /usr/lib/debug/usr/lib64/libhc.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libhc.so.debug symlinked /usr/lib/debug/usr/lib64/libhc.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libhc.so.1.debug symlinked /usr/lib/debug/usr/lib64/libSimDivPickers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libSimDivPickers.so.debug symlinked /usr/lib/debug/usr/lib64/libSimDivPickers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libSimDivPickers.so.1.debug symlinked /usr/lib/debug/usr/lib64/libSLNParse.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libSLNParse.so.debug symlinked /usr/lib/debug/usr/lib64/libSLNParse.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libSLNParse.so.1.debug symlinked /usr/lib/debug/usr/lib64/libMolHash.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolHash.so.debug symlinked /usr/lib/debug/usr/lib64/libMolHash.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolHash.so.1.debug symlinked /usr/lib/debug/usr/lib64/libFMCS.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libFMCS.so.debug symlinked /usr/lib/debug/usr/lib64/libFMCS.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libFMCS.so.1.debug symlinked /usr/lib/debug/usr/lib64/libMolDraw2D.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolDraw2D.so.debug symlinked /usr/lib/debug/usr/lib64/libMolDraw2D.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolDraw2D.so.1.debug symlinked /usr/lib/debug/usr/lib64/libMolCatalog.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolCatalog.so.debug symlinked /usr/lib/debug/usr/lib64/libMolCatalog.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolCatalog.so.1.debug symlinked /usr/lib/debug/usr/lib64/libShapeHelpers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libShapeHelpers.so.debug symlinked /usr/lib/debug/usr/lib64/libShapeHelpers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libShapeHelpers.so.1.debug symlinked /usr/lib/debug/usr/lib64/libMolChemicalFeatures.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolChemicalFeatures.so.debug symlinked /usr/lib/debug/usr/lib64/libMolChemicalFeatures.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolChemicalFeatures.so.1.debug symlinked /usr/lib/debug/usr/lib64/libMolAlign.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolAlign.so.debug symlinked /usr/lib/debug/usr/lib64/libMolAlign.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolAlign.so.1.debug symlinked /usr/lib/debug/usr/lib64/libDistGeomHelpers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libDistGeomHelpers.so.debug symlinked /usr/lib/debug/usr/lib64/libDistGeomHelpers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libDistGeomHelpers.so.1.debug symlinked /usr/lib/debug/usr/lib64/libForceFieldHelpers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libForceFieldHelpers.so.debug symlinked /usr/lib/debug/usr/lib64/libForceFieldHelpers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libForceFieldHelpers.so.1.debug symlinked /usr/lib/debug/usr/lib64/libMolTransforms.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolTransforms.so.debug symlinked /usr/lib/debug/usr/lib64/libMolTransforms.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libMolTransforms.so.1.debug symlinked /usr/lib/debug/usr/lib64/libPartialCharges.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libPartialCharges.so.debug symlinked /usr/lib/debug/usr/lib64/libPartialCharges.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libPartialCharges.so.1.debug symlinked /usr/lib/debug/usr/lib64/libFingerprints.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libFingerprints.so.debug symlinked /usr/lib/debug/usr/lib64/libFingerprints.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libFingerprints.so.1.debug symlinked /usr/lib/debug/usr/lib64/libDescriptors.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libDescriptors.so.debug symlinked /usr/lib/debug/usr/lib64/libDescriptors.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libDescriptors.so.1.debug symlinked /usr/lib/debug/usr/lib64/libFragCatalog.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libFragCatalog.so.debug symlinked /usr/lib/debug/usr/lib64/libFragCatalog.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libFragCatalog.so.1.debug symlinked /usr/lib/debug/usr/lib64/libSubgraphs.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libSubgraphs.so.debug symlinked /usr/lib/debug/usr/lib64/libSubgraphs.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libSubgraphs.so.1.debug symlinked /usr/lib/debug/usr/lib64/libChemTransforms.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libChemTransforms.so.debug symlinked /usr/lib/debug/usr/lib64/libChemTransforms.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libChemTransforms.so.1.debug symlinked /usr/lib/debug/usr/lib64/libChemReactions.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libChemReactions.so.debug symlinked /usr/lib/debug/usr/lib64/libChemReactions.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libChemReactions.so.1.debug symlinked /usr/lib/debug/usr/lib64/libSubstructMatch.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libSubstructMatch.so.debug symlinked /usr/lib/debug/usr/lib64/libSubstructMatch.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libSubstructMatch.so.1.debug symlinked /usr/lib/debug/usr/lib64/libFileParsers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libFileParsers.so.debug symlinked /usr/lib/debug/usr/lib64/libFileParsers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libFileParsers.so.1.debug symlinked /usr/lib/debug/usr/lib64/libSmilesParse.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libSmilesParse.so.debug symlinked /usr/lib/debug/usr/lib64/libSmilesParse.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libSmilesParse.so.1.debug symlinked /usr/lib/debug/usr/lib64/libDepictor.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libDepictor.so.debug symlinked /usr/lib/debug/usr/lib64/libDepictor.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libDepictor.so.1.debug symlinked /usr/lib/debug/usr/lib64/libGraphMol.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libGraphMol.so.debug symlinked /usr/lib/debug/usr/lib64/libGraphMol.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libGraphMol.so.1.debug symlinked /usr/lib/debug/usr/lib64/libCatalogs.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libCatalogs.so.debug symlinked /usr/lib/debug/usr/lib64/libCatalogs.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libCatalogs.so.1.debug symlinked /usr/lib/debug/usr/lib64/libDistGeometry.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libDistGeometry.so.debug symlinked /usr/lib/debug/usr/lib64/libDistGeometry.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libDistGeometry.so.1.debug symlinked /usr/lib/debug/usr/lib64/libForceField.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libForceField.so.debug symlinked /usr/lib/debug/usr/lib64/libForceField.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libForceField.so.1.debug symlinked /usr/lib/debug/usr/lib64/libOptimizer.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libOptimizer.so.debug symlinked /usr/lib/debug/usr/lib64/libOptimizer.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libOptimizer.so.1.debug symlinked /usr/lib/debug/usr/lib64/libEigenSolvers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libEigenSolvers.so.debug symlinked /usr/lib/debug/usr/lib64/libEigenSolvers.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libEigenSolvers.so.1.debug symlinked /usr/lib/debug/usr/lib64/libAlignment.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libAlignment.so.debug symlinked /usr/lib/debug/usr/lib64/libAlignment.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libAlignment.so.1.debug symlinked /usr/lib/debug/usr/lib64/libRDGeometryLib.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libRDGeometryLib.so.debug symlinked /usr/lib/debug/usr/lib64/libRDGeometryLib.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libRDGeometryLib.so.1.debug symlinked /usr/lib/debug/usr/lib64/libDataStructs.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libDataStructs.so.debug symlinked /usr/lib/debug/usr/lib64/libDataStructs.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libDataStructs.so.1.debug symlinked /usr/lib/debug/usr/lib64/libRDBoost.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libRDBoost.so.debug symlinked /usr/lib/debug/usr/lib64/libRDBoost.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libRDBoost.so.1.debug symlinked /usr/lib/debug/usr/lib64/libRDGeneral.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libRDGeneral.so.debug symlinked /usr/lib/debug/usr/lib64/libRDGeneral.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libRDGeneral.so.1.debug symlinked /usr/lib/debug/usr/lib64/libRDInchiLib.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libRDInchiLib.so.debug symlinked /usr/lib/debug/usr/lib64/libRDInchiLib.so.1.2015.03.1.debug to /usr/lib/debug/usr/lib64/libRDInchiLib.so.1.debug 9044 blocks + /usr/lib/rpm/check-buildroot + /usr/lib/rpm/redhat/brp-compress + /usr/lib/rpm/redhat/brp-strip-static-archive /usr/bin/strip + /usr/lib/rpm/brp-python-bytecompile /usr/bin/python 1 Bytecompiling .py files below /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib/debug/usr/lib64/python2.7 using /usr/bin/python2.7 Bytecompiling .py files below /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/lib64/python2.7 using /usr/bin/python2.7 + /usr/lib/rpm/redhat/brp-python-hardlink + /usr/lib/rpm/redhat/brp-java-repack-jars Executing(%check): /bin/sh -e /var/tmp/rpm-tmp.ilZ6Xl + umask 022 + cd /builddir/build/BUILD + cd rdkit-Release_2015_03_1 + export RDBASE=/builddir/build/BUILD/rdkit-Release_2015_03_1 + RDBASE=/builddir/build/BUILD/rdkit-Release_2015_03_1 + export LD_LIBRARY_PATH=/builddir/build/BUILD/rdkit-Release_2015_03_1/lib + LD_LIBRARY_PATH=/builddir/build/BUILD/rdkit-Release_2015_03_1/lib + export PYTHONPATH=/builddir/build/BUILD/rdkit-Release_2015_03_1 + PYTHONPATH=/builddir/build/BUILD/rdkit-Release_2015_03_1 + ARGS=-V + make test Running tests... /usr/bin/ctest --force-new-ctest-process -V UpdateCTestConfiguration from :/builddir/build/BUILD/rdkit-Release_2015_03_1/DartConfiguration.tcl UpdateCTestConfiguration from :/builddir/build/BUILD/rdkit-Release_2015_03_1/DartConfiguration.tcl Test project /builddir/build/BUILD/rdkit-Release_2015_03_1 Constructing a list of tests Done constructing a list of tests Checking test dependency graph... Checking test dependency graph end test 1 Start 1: testInchi 1: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/External/INCHI-API/testInchi 1: Test timeout computed to be: 9.99988e+06 1: [11:33:43] ------------------------------------- 1: [11:33:43] testing github issue 3: bad inchis when mol has no stereoinfo 1: [11:33:43] done 1: [11:33:43] ------------------------------------- 1: [11:33:43] testing a consequence of the fix for github issue 8: bad mols from some inchis 1: [11:33:43] done 1: [11:33:43] ------------------------------------- 1: [11:33:43] testing github issue 40: bad MWs from inchis 1: [11:33:43] done 1: [11:33:43] ------------------------------------- 1: [11:33:43] testing github issue 67: seg fault from inchi 1: [11:33:43] Extended double-bond stereochemistry (e.g. C=C=C=C) ignored 1: [11:33:43] done 1: [11:33:43] ------------------------------------- 1: [11:33:43] testing github issue 68: hang while reading InChI 1: [11:33:43] parse 1: 1: [11:33:43] done 1: [11:33:43] parse 2: 1: [11:33:43] done 1: [11:33:43] done 1: [11:33:43] ------------------------------------- 1: [11:33:43] testing github issue 296: problems with chiral S and inchi 1: [11:33:43] done 1: [11:33:43] ------------------------------------- 1: [11:33:43] testing github issue 437: problems with InChI and ring stereochemistry 1: [11:33:43] done 1/91 Test #1: testInchi ........................ Passed 0.07 sec test 2 Start 2: testDict 2: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/RDGeneral/testDict 2: Test timeout computed to be: 9.99988e+06 2: [11:33:43] dict test 2: [11:33:43] ------------------------------------- 2: [11:33:43] Testing String Pickle Roundtrips. 2: [11:33:43] done 2: [11:33:43] ------------------------------------- 2: [11:33:43] Testing conversion of vect to string. 2: [11:33:43] done 2: [11:33:43] ------------------------------------- 2: [11:33:43] Testing returning const references. 2: [11:33:43] any cast 2: [11:33:43] done: 0 300000 2: [11:33:43] copy 2: [11:33:43] done: 0.01 300000 2: [11:33:43] ref 2: [11:33:43] done: 0.01 300000 2: [11:33:43] dict 2: [11:33:43] done: 0.02 300000 2: [11:33:43] ref with hasVal 2: [11:33:43] done: 0 300000 2: [11:33:43] done 2/91 Test #2: testDict ......................... Passed 0.06 sec test 3 Start 3: testDataStructs 3: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/testDataStructs 3: Test timeout computed to be: 9.99988e+06 3: [11:33:43] pass 3: [11:33:43] v3 4 3: [11:33:43] v4 5 3: [11:33:43] SPARSE ----------------------------------- 3: [11:33:43] Set 10: 0 3: [11:33:43] Set 11: 0 3: [11:33:43] Set 14: 0 3: [11:33:43] Set 10: 1 3: [11:33:43] Get 14: 1 3: [11:33:43] Num: 20 3: [11:33:43] NumOn: 3 3: [11:33:43] NumOff: 17 3: 10, 11, 14, 3: [11:33:43] t2[19]: 0 3: [11:33:43] t2[14]: 1 3: [11:33:43] t2[19]: 0 3: [11:33:43] t2[14]: 0 3: t1: 10, 11, 14, 3: t2: 10, 11, 15, 17, 3: t1|t2: 10, 11, 14, 15, 17, 3: t1&t2: 10, 11, 3: t1^t2: 14, 15, 17, 3: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 3: except 3: [11:33:43] Explicit ---------------------------------- 3: [11:33:43] Set 10: 0 3: [11:33:43] Set 11: 0 3: [11:33:43] Set 14: 0 3: [11:33:43] Set 10: 1 3: [11:33:43] Get 14: 1 3: [11:33:43] Num: 20 3: [11:33:43] NumOn: 3 3: [11:33:43] NumOff: 17 3: 10, 11, 14, 3: [11:33:43] t2[19]: 0 3: [11:33:43] t2[14]: 1 3: [11:33:43] t2[19]: 0 3: [11:33:43] t2[14]: 0 3: t1: 10, 11, 14, 3: t2: 10, 11, 15, 17, 3: t1|t2: 10, 11, 14, 15, 17, 3: t1&t2: 10, 11, 3: t1^t2: 14, 15, 17, 3: ~t1: 0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 12, 13, 15, 16, 17, 18, 19, 3: except 3: [11:33:43] Done 3: [11:33:43] Test DiscreteValue Vectors 1 ---------------------------- 3: [11:33:43] Expected failure: Value out of range 3: [11:33:43] Expected failure: Value out of range 3: [11:33:43] Expected failure: Value out of range 3: [11:33:43] Expected failure: Value out of range 3: [11:33:43] Expected failure: Value out of range 3: [11:33:43] Test DiscreteValue Vectors 2 ------------------------------ 3: [11:33:43] Test DiscreteValue Vectors 3 --------------------------- 3: [11:33:43] Test DiscreteValue Operations ----------------------------- 3: [11:33:43] Test DiscreteValue Operations 2 -------------------------- 3: [11:33:43] Test SparseIntVect ------------------------------------ 3: [11:33:43] Test SparseIntVect Serialization -------------------------- 3: [11:33:43] Test BitVect Serialization ------------------------------- 3: [11:33:43] Test BitVect to FPS ------------------------------- 3: [11:33:43] Test BitVect to binary string ------------------------------- 3: [11:33:43] Test Similarity Measures BitVect ------------------------------- 3: [11:33:43] Test Similarity Measures SparseBitVect ------------------------------- 3: [11:33:43] Test BitVect with all ones ------------------------------- 3: [11:33:43] Test Explicit BitVects: Concatenation Operation ------------------------------- 3/91 Test #3: testDataStructs .................. Passed 0.01 sec test 4 Start 4: pyBV 4: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/Wrap/testBV.py" 4: Test timeout computed to be: 9.99988e+06 4: ............. 4: ---------------------------------------------------------------------- 4: Ran 13 tests in 0.751s 4: 4: OK 4/91 Test #4: pyBV ............................. Passed 0.96 sec test 5 Start 5: pyDiscreteValueVect 5: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/Wrap/testDiscreteValueVect.py" 5: Test timeout computed to be: 9.99988e+06 5: ...... 5: ---------------------------------------------------------------------- 5: Ran 6 tests in 0.002s 5: 5: OK 5/91 Test #5: pyDiscreteValueVect .............. Passed 0.12 sec test 6 Start 6: pySparseIntVect 6: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataStructs/Wrap/testSparseIntVect.py" 6: Test timeout computed to be: 9.99988e+06 6: ........ 6: ---------------------------------------------------------------------- 6: Ran 8 tests in 0.006s 6: 6: OK 6/91 Test #6: pySparseIntVect .................. Passed 0.11 sec test 7 Start 7: testTransforms 7: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/testTransforms 7: Test timeout computed to be: 9.99988e+06 7: **************************************** 7: testPointND 7: **************************************** 7: testPointOps3D 7: **************************************** 7: testPointOps2D 7: **************************************** 7: test12D 7: ref1: 0.247341 1.70955 ref2: 0.744857 1.8679 7: pt1: 3.23725 0.603708 pt2: 2.2552 3.87169 7: **************************************** 7: test23D 7: **************************************** 7: test3MatMultiply 7: Pt1: 1 0 0 Pt2: 2 0 0 7: -Pt1: -1 -0 -0 7: tp1: 0 0 0 tp2: 0 0 0 7: tp1: 0 0 0 tp2: 0 0 0 7: tp1: 0 0 3 tp2: 0 0 3 7: npt1: 0 0 3 npt2: 0 0 4 7: Pt1: 0 0 3 Pt2: 6.12323e-17 0 4 7: **************************************** 7: testFromQuaternion 7: **************************************** 7/91 Test #7: testTransforms ................... Passed 0.00 sec test 8 Start 8: testGrid 8: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/testGrid 8: Test timeout computed to be: 9.99988e+06 8: *********************************************************** 8: Testing Grid 8: --------------------------------- 8: testUniformGrid1 8: 8: --------------------------------- 8: testUniformGrid2 8: 8: --------------------------------- 8: testUniformGridPickling 8: 8: --------------------------------- 8: testGridOps 8: 8: --------------------------------- 8: testUniformGridIndexing 8: 8/91 Test #8: testGrid ......................... Passed 0.01 sec test 9 Start 9: testPyGeometry 9: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Geometry/Wrap/testGeometry.py" 9: Test timeout computed to be: 9.99988e+06 9: .......... 9: ---------------------------------------------------------------------- 9: Ran 10 tests in 0.013s 9: 9: OK 9: Testing Geometry wrapper 9/91 Test #9: testPyGeometry ................... Passed 0.11 sec test 10 Start 10: testMatrices 10: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/testMatrices 10: Test timeout computed to be: 9.99988e+06 10: [11:33:44] ----------------------------------------- 10: [11:33:44] Testing RDNumerics: vectors and matrices Code 10: [11:33:44] --------------------------------------- 10: [11:33:44] test1Vector 10: [11:33:44] --------------------------------------- 10: [11:33:44] test2Matrix 10: [11:33:44] --------------------------------------- 10: [11:33:44] test3SquareMatrix 10: [11:33:44] --------------------------------------- 10: [11:33:44] test4SymmMatrix 10/91 Test #10: testMatrices ..................... Passed 0.00 sec test 11 Start 11: testAlignment 11: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/testAlignment 11: Test timeout computed to be: 9.99988e+06 11: ----------------------------------------- 11: Testing Alignment Code 11: --------------------------------------- 11: testBasic 11: --------------------------------------- 11: testTriangle 11: --------------------------------------- 11: testFourPts 11: --------------------------------------- 11: testReflection 11: --------------------------------------- 11/91 Test #11: testAlignment .................... Passed 0.00 sec test 12 Start 12: pyAlignment 12: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Alignment/Wrap/testAlignment.py" 12: Test timeout computed to be: 9.99988e+06 12: ..... 12: ---------------------------------------------------------------------- 12: Ran 5 tests in 0.001s 12: 12: OK 12: Testing Alignment Wrapper code: 12/91 Test #12: pyAlignment ...................... Passed 0.09 sec test 13 Start 13: testOptimizer 13: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer/testOptimizer 13: Test timeout computed to be: 9.99988e+06 13: ------------------------------------- 13: Testing linear search. 13: done 13: ------------------------------------- 13: Testing BFGS optimization. 13: done 13/91 Test #13: testOptimizer .................... Passed 0.00 sec test 14 Start 14: testUFFForceField 14: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/UFF/testUFFForceField 14: Test timeout computed to be: 9.99988e+06 14: ------------------------------------- 14: Unit tests for force field basics. 14: done 14: ------------------------------------- 14: Unit tests for basics of UFF bond-stretch terms. 14: done 14: ------------------------------------- 14: Unit tests for UFF bond-stretch terms. 14: done 14: ------------------------------------- 14: Unit tests for basics of UFF angle terms. 14: done 14: ------------------------------------- 14: Unit tests for UFF angle-bend terms. 14: theta = 3.14159; theta0 = 3.14159 14: theta = 2.094395, param1.theta0 = 2.094395 14: done 14: ------------------------------------- 14: Test Simple UFF molecule optimizations. 14: done 14: ------------------------------------- 14: Unit tests for UFF nonbonded terms. 14: done 14: ------------------------------------- 14: Test UFF torsional terms. 14: done 14: ------------------------------------- 14: Test UFF Parameter objects 14: ------------------------------------- 14: Test Simple UFF molecule optimization, part 2. 14: done 14: ------------------------------------- 14: Test UFF Torsion Conflicts. 14: C 0.4783 -0.7477 -0.0753 14: C -0.5465 -0.0176 0.3519 14: C -0.5114 1.4472 0.0870 14: H -1.5201 -0.4838 0.2485 14: H 0.4696 1.8363 0.3367 14: O -1.2618 1.9423 0.6934 14: F -0.7163 1.6298 -0.9622 14: done 14: ------------------------------------- 14: Unit tests for UFF distance constraint terms. 14: done 14: ------------------------------------- 14: Unit tests for all UFF constraint terms. 14: done 14: ------------------------------------- 14: Unit tests for copying UFF ForceFields. 14: done 14/91 Test #14: testUFFForceField ................ Passed 0.07 sec test 15 Start 15: testMMFFForceField 15: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/testMMFFForceField 15: Test timeout computed to be: 9.99988e+06 15: ------------------------------------- 15: Official MMFF validation suite. 15: 15: Computing MMFF94 energies for /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/test_data/MMFF94_dative.sdf... 15: Checking against /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 15: All 191 tests passed 15: 15: Computing MMFF94 energies for /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.sdf... 15: Checking against /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 15: All 191 tests passed 15: 15: Computing MMFF94 energies for /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/test_data/MMFF94_dative.smi... 15: Checking against /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 15: All 191 tests passed 15: 15: Computing MMFF94 energies for /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/test_data/MMFF94_hypervalent.smi... 15: Checking against /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/MMFF/test_data/MMFF94_reference.log... 15: All 191 tests passed 15: done 15: ------------------------------------- 15: Unit tests for all MMFF constraint terms. 15: done 15: ------------------------------------- 15: Unit tests for copying MMFF ForceFields. 15: done 15/91 Test #15: testMMFFForceField ............... Passed 15.17 sec test 16 Start 16: pyForceFieldConstraints 16: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ForceField/Wrap/testConstraints.py" 16: Test timeout computed to be: 9.99988e+06 16: ...[11:34:00] 16: 16: **** 16: Invariant Violation 16: bad direction in linearSearch 16: Violation occurred on line 216 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer/BFGSOpt.h 16: Failed Expression: status>=0 16: **** 16: 16: ......[11:34:00] 16: 16: **** 16: Invariant Violation 16: bad direction in linearSearch 16: Violation occurred on line 216 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Numerics/Optimizer/BFGSOpt.h 16: Failed Expression: status>=0 16: **** 16: 16: ... 16: ---------------------------------------------------------------------- 16: Ran 12 tests in 0.528s 16: 16: OK 16/91 Test #16: pyForceFieldConstraints .......... Passed 0.63 sec test 17 Start 17: testDistGeom 17: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom/testDistGeom 17: Test timeout computed to be: 9.99988e+06 17: *********************************************************** 17: test1 17: *********************************************************** 17: testIssue216 17: Rows: 4 Columns: 4 17: 0 1 1 1 17: 1 0 1 1 17: 1 1 0 1 17: 1 1 1 0 17: *********************************************************** 17: 17/91 Test #17: testDistGeom ..................... Passed 0.01 sec test 18 Start 18: pyDistGeom 18: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DistGeom/Wrap/rough_test.py" 18: Test timeout computed to be: 9.99988e+06 18: ...... 18: ---------------------------------------------------------------------- 18: Ran 6 tests in 0.001s 18: 18: OK 18/91 Test #18: pyDistGeom ....................... Passed 0.13 sec test 19 Start 19: graphmolTest1 19: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/graphmolTest1 19: Test timeout computed to be: 9.99988e+06 19: [11:34:00] ----------------------- 19: Testing Atom and Bond Property Caches 19: [11:34:00] Finished 19: [11:34:00] ----------------------- 19: Testing Mol Property Caches 19: [11:34:00] Finished 19: [11:34:00] ----------------------- 19: Testing Atom Property Caches 19: [11:34:00] Finished 19: [11:34:00] ----------------------- 19: Testing Bond Property Caches 19: [11:34:00] Finished 19: [11:34:00] ----------------------- 19: Testing Misc Properties 19: [11:34:00] Finished 19: [11:34:00] ----------------------- 19: Testing degree operations 19: [11:34:00] Finished 19: [11:34:00] ------------------------------------- 19: [11:34:00] Testing Issue 1993296 19: [11:34:00] 19: 19: **** 19: Pre-condition Violation 19: bond already exists 19: Violation occurred on line 222 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/RWMol.cpp 19: Failed Expression: !(boost::edge(atomIdx1,atomIdx2,d_graph).second) 19: **** 19: 19: [11:34:00] 19: 19: **** 19: Pre-condition Violation 19: bond already exists 19: Violation occurred on line 222 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/RWMol.cpp 19: Failed Expression: !(boost::edge(atomIdx1,atomIdx2,d_graph).second) 19: **** 19: 19: [11:34:00] 19: 19: **** 19: Pre-condition Violation 19: attempt to add self-bond 19: Violation occurred on line 221 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/RWMol.cpp 19: Failed Expression: atomIdx1!=atomIdx2 19: **** 19: 19: [11:34:00] 19: 19: **** 19: Pre-condition Violation 19: bond already exists 19: Violation occurred on line 367 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ROMol.cpp 19: Failed Expression: !(boost::edge(bond_pin->getBeginAtomIdx(), bond_pin->getEndAtomIdx(),d_graph).second) 19: **** 19: 19: [11:34:00] 19: 19: **** 19: Pre-condition Violation 19: attempt to add self-bond 19: Violation occurred on line 365 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ROMol.cpp 19: Failed Expression: bond_pin->getBeginAtomIdx()!=bond_pin->getEndAtomIdx() 19: **** 19: 19: [11:34:00] done 19: [11:34:00] ------------------------------------- 19: [11:34:00] Testing Issue 2381580 19: [11:34:00] Explicit valence for atom # 0 B, 4, is greater than permitted 19: [11:34:00] Explicit valence for atom # 0 B, 5, is greater than permitted 19: [11:34:00] done 19: [11:34:00] ------------------------------------- 19: [11:34:00] Testing Issue 2840217 19: [11:34:01] done 19: [11:34:01] ----------------------- 19: [11:34:01] Testing properties from periodic table 19: [11:34:01] 19: 19: **** 19: Post-condition Violation 19: Element 'Xx' not found 19: Violation occurred on line 91 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PeriodicTable.h 19: Failed Expression: anum>-1 19: **** 19: 19: [11:34:01] Finished 19: [11:34:01] ----------------------- 19: [11:34:01] Testing issue 264: adding atoms to molecules that already have conformers 19: [11:34:01] Finished 19: [11:34:01] ----------------------- 19: [11:34:01] Testing issue 267: default valence of * 19: [11:34:01] Finished 19: [11:34:01] ----------------------- 19: [11:34:01] Testing issue 284: removeBond not updating indices 19: [11:34:01] Finished 19: [11:34:01] ----------------------- 19: Testing RWMol.clear() 19: [11:34:01] Finished 19: [11:34:01] ----------------------- 19: [11:34:01] Testing residue information handling on atoms 19: [11:34:01] Finished 19: [11:34:01] ----------------------- 19: [11:34:01] Testing function needsUpdatePropertyCache 19: [11:34:01] Finished 19: [11:34:01] ----------------------- 19: [11:34:01] Test AtomListLine RoundTrip 19/91 Test #19: graphmolTest1 .................... Passed 0.21 sec test 20 Start 20: graphmolcpTest 20: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/graphmolcpTest 20: Test timeout computed to be: 9.99988e+06 20: [11:34:01] ----------------------- 20: Testing behavior of copied queries 20: 20: 20: 20: COPY 20: [11:34:01] Finished 20: [11:34:01] ----------------------- 20: Testing copying conformers 20: [11:34:01] Finished 20/91 Test #20: graphmolcpTest ................... Passed 0.03 sec test 21 Start 21: graphmolqueryTest 21: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/graphmolqueryTest 21: Test timeout computed to be: 9.99988e+06 21: [11:34:01] ---------------------- Test1 21: [11:34:01] Done! 21: [11:34:01] ---------------------- Test2 21: [11:34:01] ------------------------------------- 21: [11:34:01] Testing query--query matches 21: [11:34:01] Done! 21: [11:34:01] ---------------------- Test3 21: [11:34:01] Done! 21: [11:34:01] ---------------------- Test4 21: [11:34:01] Done! 21: [11:34:01] ---------------------- Test5 21: [11:34:01] Done! 21: [11:34:01] Done! 21: [11:34:01] ---------------------- Test issue 2892580 21: [11:34:01] Done! 21: [11:34:01] ---------------------- Test github issue 53: query molecules not matching [R] 21: [11:34:01] Done! 21: [11:34:01] ---------------------- Test queries using qualifiers instead of == 21: [11:34:01] Done! 21: [11:34:01] ---------------------- Test Github issue 165: radicals not used in atom-atom matching 21: [11:34:01] Done! 21/91 Test #21: graphmolqueryTest ................ Passed 0.02 sec test 22 Start 22: graphmolMolOpsTest 22: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/graphmolMolOpsTest 22: Test timeout computed to be: 9.99988e+06 22: [11:34:01] C1CC1 22: [11:34:01] C1CCC1 22: [11:34:01] C1CCCCCC1 22: [11:34:01] C1C(CCC)CC(C(C)CCC(CC))CCC1 22: [11:34:01] CC1CCC1 22: [11:34:01] CC1C(C2)CCC2C1 22: [11:34:01] BFSR: 5 22: [11:34:01] BFSR: 6 22: [11:34:01] ( [11:34:01] 0[11:34:01] 5[11:34:01] 2[11:34:01] 1[11:34:01] ) 22: [11:34:01] ( [11:34:01] 0[11:34:01] 7[11:34:01] 4[11:34:01] 1[11:34:01] ) 22: [11:34:01] ( [11:34:01] 0[11:34:01] 7[11:34:01] 6[11:34:01] 5[11:34:01] ) 22: [11:34:01] ( [11:34:01] 1[11:34:01] 4[11:34:01] 3[11:34:01] 2[11:34:01] ) 22: [11:34:01] ( [11:34:01] 5[11:34:01] 2[11:34:01] 3[11:34:01] 6[11:34:01] ) 22: [11:34:01] ( [11:34:01] 7[11:34:01] 6[11:34:01] 3[11:34:01] 4[11:34:01] ) 22: [11:34:01] C(C1C2C3C41)(C2C35)C45 22: [11:34:01] C1CC2C1CCC2 22: [11:34:01] 22: C12=C3C=CC=C1C=CC2=CC=C3 22: [11:34:01] C12=C3C=CC=C1C=CC2=CC=C3 22: [11:34:01] C1(O)C(O)C(O)C1O 22: [11:34:01] Count: 5 22: [11:34:01] ----------------------- 22: Testing Hydrogen Ops 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing Distance Matrix Operations 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing Atom Ranking 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing double bond stereochemistry 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing Issue 183 22: 22: Atoms: 22: 0 17 Cl chg: 0 deg: 1 exp: 1 imp: 0 hyb: 4 arom?: 0 chi: 0 22: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 0 chi: 0 22: 2 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 4 arom?: 0 chi: 0 22: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 0 chi: 0 22: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 0 chi: 0 22: 5 9 F chg: 0 deg: 1 exp: 1 imp: 0 hyb: 4 arom?: 0 chi: 0 22: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 0 chi: 0 22: 7 9 F chg: 0 deg: 1 exp: 1 imp: 0 hyb: 4 arom?: 0 chi: 0 22: 8 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 4 arom?: 0 chi: 0 22: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 0 chi: 0 22: 10 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 4 arom?: 0 chi: 0 22: 11 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 0 chi: 0 22: 12 9 F chg: 0 deg: 1 exp: 1 imp: 0 hyb: 4 arom?: 0 chi: 0 22: 13 6 C chg: 0 deg: 1 exp: 1 imp: 3 hyb: 4 arom?: 0 chi: 0 22: Bonds: 22: 0 0->1 order: 1 dir: 3 conj?: 0 aromatic?: 0 22: 1 1->2 order: 1 conj?: 0 aromatic?: 0 22: 2 1->3 order: 2 stereo: 3 conj?: 1 aromatic?: 0 22: 3 3->4 order: 1 dir: 3 conj?: 1 aromatic?: 0 22: 4 4->5 order: 1 conj?: 0 aromatic?: 0 22: 5 4->6 order: 2 stereo: 3 conj?: 1 aromatic?: 0 22: 6 6->7 order: 1 dir: 4 conj?: 0 aromatic?: 0 22: 7 6->8 order: 1 conj?: 0 aromatic?: 0 22: 8 3->9 order: 1 dir: 4 conj?: 1 aromatic?: 0 22: 9 9->10 order: 1 conj?: 0 aromatic?: 0 22: 10 9->11 order: 2 stereo: 2 conj?: 1 aromatic?: 0 22: 11 11->12 order: 1 dir: 3 conj?: 0 aromatic?: 0 22: 12 11->13 order: 1 conj?: 0 aromatic?: 0 22: [11:34:01] ref: C/C(F)=C(C)/C(=C(/C)Cl)C(/F)=C(/C)F 22: [11:34:01] smi: C/C(F)=C(C)/C(=C(/C)Cl)C(/F)=C(/C)F 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing Issue 188: bad CIP rankings 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing Issue 189: BondDirs not getting properly cleared. 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing shortest path code. This should finish very quickly. 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing Issue 190: BondDirs incorrectly cleared. 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing Issue 211 22: path: 2 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing Issue 210 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing Issue 212 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing AddHs with coordinates 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing Add Confomers 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Sanitization special cases 22: [11:34:01] Warning: conflicting stereochemistry at atom 10 ignored. 22: [11:34:01] Warning: conflicting stereochemistry at atom 10 ignored. 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Issue 276 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Additional Aromaticity Cases 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing sf.net issue 1694023 (bad chiral smiles after removing Hs) 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing sf.net issue 1719053 (Ring stereochemistry incorrectly removed) 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing sf.net issue 1811276 (kekulization failing) 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing sf.net issue 1836576 (sanitization crash) 22: [11:34:01] Explicit valence for atom # 0 B, 5, is greater than permitted 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing impact of removeHs on chirality 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing SFIssue1894348 (impact of removeHs on bond stereo atoms 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing sf.net issue 1942657 22: [11:34:01] Explicit valence for atom # 1 C, 5, is greater than permitted 22: [11:34:01] Explicit valence for atom # 1 C, 5, is greater than permitted 22: [11:34:01] Explicit valence for atom # 1 C, 5, is greater than permitted 22: [11:34:01] Explicit valence for atom # 1 Si, 7, is greater than permitted 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing sf.net issue 198608 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing hybridization assignment 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing some aromaticity edge cases 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing sf.net issue 2196817: handling of aromatic dummies 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing sf.net issue 2208994 : kekulization error 22: [11:34:01] Finished 22: [11:34:01] ----------------------- 22: Testing sf.net issue 2313979: aromaticity assignment hangs 22: [11:34:01] Doing molecule: bucky1 22: [11:34:01] This should finish in a few seconds. >>> 22: [11:34:01] <<< Done. 22: [11:34:01] Doing molecule: bucky2 22: [11:34:01] This should finish in a few seconds. >>> 22: [11:34:02] <<< Done. 22: [11:34:02] Doing molecule: bucky3 22: [11:34:02] This should finish in a few seconds. >>> 22: [11:34:03] <<< Done. 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing sf.net issue 2316677 : canonicalization error 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing sf.net issue 2951221 : hydrogens added with bad coordinates 22: smi: Cc1ccc(S(=O)(=O)/N=C2\CC(=N\C(C)(C)C)/C2=N\C(C)(C)C)cc1 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing sf.net issue 2952255 : bad assignment of radicals to early elements 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing sf.net issue 3185548 : problems with SSSR code 22: [11:34:03] Starting file read 1 22: [11:34:03] finished 22: [11:34:03] Starting file read 2 22: [11:34:03] finished 22: [11:34:03] Finished 22: [11:34:03] ------------------------------------- 22: [11:34:03] Testing Issue 3349243 22: [11:34:03] done 22: [11:34:03] ------------------------------------- 22: [11:34:03] Testing fast find rings 22: [11:34:03] done 22: [11:34:03] ----------------------- 22: Testing sf.net issue 2830244: make sure that non-ring aromatic atoms generate errors: 22: [11:34:03] non-ring atom 0 marked aromatic 22: [11:34:03] non-ring atom 0 marked aromatic 22: [11:34:03] Finished 22: [11:34:03] ------------------------------------- 22: [11:34:03] Testing Issue 3349243 22: [11:34:03] done 22: [11:34:03] ------------------------------------- 22: [11:34:03] Testing canonicalization basics 22: [11:34:03] done 22: [11:34:03] ----------------------- 22: Testing sf.net issue 3549146: problems after mergeQueryHs 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing sf.net issue 249: finding rings consumes all memory 22: starting ring finding 22: done 22: starting ring finding 22: done 22: starting ring finding 22: done 22: starting sanitization 22: done 22: starting sanitization 22: done 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing sf.net issue 256: bad atom counts 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing sf.net issue 266: ring finding error 22: starting ring finding 22: done 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing sf.net issue 266: ring finding error 22: starting ring finding 22: done 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing sf.net issue 272: removing two-coordinate Hs 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing Github issue 8 (impact of removeAtom on bond stereo atoms) 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing Github issue 42 (impact of removeAtom on atom stereochem) 22: smiles: CC[C@]1(C(=O)c([nH])n)CC[C@](C)(O)CC1 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing Github issue 65 (kekulization of boron-containing aromatic rings) 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing Github issue 72 (problems with bad benzothiazolium structure) 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing renumbering atoms 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing github issue 141: Kekulization of molecule with aromatic N leaves the explicit H there. 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: [11:34:03] Testing ZBO basics 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing operator= on molecules 22: [11:34:03] Finished 22: [11:34:03] ------------------------------------- 22: [11:34:03] Testing Atom-Atom matching behavior 22: [11:34:03] done 22: [11:34:03] ----------------------- 22: Testing github issue 190: Don't merge Hs onto dummy atoms. 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing getMolFragsWithQuery(). 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing CIP chirality 22: ------------------------------- 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing github issue 418: removeHs not updating H count. 22: [11:34:03] Explicit valence for atom # 0 N, 4, is greater than permitted 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing github issue 432: problems caused by aromatic Ns with radical electrons. 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing github issue 443: kekulization problems caused by any bonds. 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing github issue 447: Radicals are not correctly assigned when reading from SMILES. 22: [11:34:03] Finished 22: [11:34:03] ----------------------- 22: Testing generation of new molecules from molecule fragments 22: [11:34:03] Finished 22/91 Test #22: graphmolMolOpsTest ............... Passed 2.60 sec test 23 Start 23: graphmoltestCanon 23: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/graphmoltestCanon 23: Test timeout computed to be: 9.99988e+06 23: [11:34:03] Pass in the list of smiles 23: [11:34:03] FINISHED after 0 lines. 23/91 Test #23: graphmoltestCanon ................ Passed 0.01 sec test 24 Start 24: graphmoltestChirality 24: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/graphmoltestChirality 24: Test timeout computed to be: 9.99988e+06 24: [11:34:03] ------------------------------------- 24: [11:34:03] CIP codes from SMILES 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] CIP codes from a mol file (1) 24: [11:34:03] >>>>>>>>>>>>> smiles 1 <<<<<<<<<<<<<< 24: [11:34:03] >>>>>>>>>>>>> mol file <<<<<<<<<<<<<< 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] CIP codes from a mol file (2) 24: [11:34:03] >>>>>>>>>>>>> smiles 1 <<<<<<<<<<<<<< 24: [11:34:03] >>>>>>>>>>>>> smiles 2 <<<<<<<<<<<<<< 24: [11:34:03] >>>>>>>>>>>>> mol file <<<<<<<<<<<<<< 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] CIP codes from a mol->smiles conversion (1) 24: [11:34:03] smiout: N[C@H](O)I 24: [11:34:03] >>>>>>>>>>>>> mol file <<<<<<<<<<<<<< 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] chirality cleanup 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] chirality perception from 3D coordinates: 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] iterative chirality (sf.net issue 1931470): 24: [11:34:03] : C[C@H]1CCC[C@@H](C)[C@H]1C C[C@H]1CCC[C@@H](C)[C@H]1C 24: [11:34:03] : C[C@H]1CCC[C@@H](C)[C@@H]1C C[C@H]1CCC[C@@H](C)[C@@H]1C 24: [11:34:03] : CC1[C@H](C)CCC[C@H]1C CC1[C@H](C)CCC[C@H]1C 24: [11:34:03] : CC1[C@H](C)CCC[C@H]1C CC1[C@H](C)CCC[C@H]1C 24: [11:34:03] : C/C=C\[C@@H](C)/C=C/C C/C=C\[C@@H](C)/C=C/C 24: [11:34:03] : C/C=C\[C@H](C)/C=C/C C/C=C\[C@H](C)/C=C/C 24: [11:34:03] : C/C=C/C(C)/C=C/C C/C=C/C(C)/C=C/C 24: [11:34:03] : CC=C[C@@H](C)/C=C/C CC=C[C@@H](C)/C=C/C 24: [11:34:03] : CC=C[C@H](C)/C=C\C CC=C[C@H](C)/C=C\C 24: [11:34:03] : C/C=C(/[C@@](C)(F)Cl)[C@](C)(F)Cl C/C=C(/[C@@](C)(F)Cl)[C@](C)(F)Cl 24: [11:34:03] : C/C=C(\[C@@](C)(F)Cl)[C@](C)(F)Cl C/C=C(\[C@@](C)(F)Cl)[C@](C)(F)Cl 24: [11:34:03] : CC=C([C@](C)(F)Cl)[C@](C)(F)Cl CC=C([C@](C)(F)Cl)[C@](C)(F)Cl 24: [11:34:03] : C/C=C\C(\C=C\C)=C\C C/C=C\C(\C=C\C)=C\C 24: [11:34:03] : C/C=C\C(=C/C)\C=C\C C/C=C\C(=C/C)\C=C\C 24: [11:34:03] : CC=C(/C=C/C)/C=C/C CC=C(/C=C/C)/C=C/C 24: [11:34:03] : CC=C(/C=C\C)/C=C\C CC=C(/C=C\C)/C=C\C 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] testing that the removal of bond directions is correct: 24: [11:34:03] : BC(=C/Cl)/C=C/C BC(=C/Cl)/C=C/C 24: [11:34:03] : BC(=C/Cl)/C=C/C BC(=C/Cl)/C=C/C 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] Issue 2762917: chirality swap on addHs() 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] Issue 3009911: bad atom priorities 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] Issue 3139534: stereochemistry in larger rings 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] Test findChiralAtoms. 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] Issue 3453172: stereochemistry at three-coordinate S and Se 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] test ring stereochemistry 24: [11:34:03] : B[C@H]1CC[C@H](C)CC1 B[C@H]1CC[C@H](C)CC1 24: [11:34:03] : B[C@H]1CC[C@H](C)CC1 B[C@H]1CC[C@H](C)CC1 24: [11:34:03] : C[C@H]1CC[C@H](F)CC1 C[C@H]1CC[C@H](F)CC1 24: [11:34:03] : CC1(C)CCC(F)CC1 CC1(C)CCC(F)CC1 24: [11:34:03] : C1CC2CCC1CC2 C1CC2CCC1CC2 24: [11:34:03] : CC12CCC(C)(CC1)CC2 CC12CCC(C)(CC1)CC2 24: [11:34:03] : CC12CCC(C)(NC1)OC2 C[C@]12CC[C@](C)(CN1)CO2 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] Testing github issue 87: removal of bond wedging 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] Testing github issue 90: isotopes and chirality 24: [11:34:03] done 24: [11:34:03] ------------------------------------- 24: [11:34:03] Issue 2705543: 24: [11:34:03] done 24/91 Test #24: graphmoltestChirality ............ Passed 0.05 sec test 25 Start 25: graphmoltestPickler 25: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/graphmoltestPickler 25: Test timeout computed to be: 9.99988e+06 25: [11:34:03] ------------------------------------- 25: [11:34:03] Testing String Pickle Roundtrips. 25: [11:34:03] done 25: [11:34:03] ------------------------------------- 25: [11:34:03] Testing reading existing pickle file (v2). 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing combining molecules using pickles. 25: Atoms: 25: 0 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 25: 1 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 25: 2 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 25: 3 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 25: 4 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 25: 5 8 O chg: 0 deg: 2 exp: 2 imp: 0 hyb: 4 arom?: 0 chi: 0 25: 6 6 C chg: 0 deg: 2 exp: 2 imp: 2 hyb: 4 arom?: 0 chi: 0 25: Bonds: 25: 0 0->1 order: 1 conj?: 0 aromatic?: 0 25: 1 1->2 order: 1 conj?: 0 aromatic?: 0 25: 2 2->0 order: 1 conj?: 0 aromatic?: 0 25: 3 3->4 order: 1 conj?: 0 aromatic?: 0 25: 4 4->5 order: 1 conj?: 0 aromatic?: 0 25: 5 5->6 order: 1 conj?: 0 aromatic?: 0 25: 6 6->3 order: 1 conj?: 0 aromatic?: 0 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing Issue164: Roundtrip Pickle Failure. 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing Issue219: Pickle Failure with Conformations. 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing Issue220: Pickle problems with bond stereochemistry. 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing query serialization. 25: [11:34:04] C=[$(C=O)] 25: [11:34:04] S(=O)(=O)-[C&H2]-,:[F,Br,I,Cl] S(=O)(=O)-[C&H2]-,:[F,Br,I,Cl] 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing radical handling in pickles. 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing sf.net issue 2788233. 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing sf.net issue 3202580. 25: mass! 13.0034 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing sf.net issue 3316407. 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing sf.net issue 3496759. 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing sf.net issue 280. 25: [11:34:04] done 25: [11:34:04] ------------------------------------- 25: [11:34:04] Testing sf.net issue 285. 25: [11:34:04] done 25: [11:34:04] ----------------------- 25: [11:34:04] Testing residue information handling on atoms 25: [11:34:04] done 25: [11:34:04] ----------------------- 25: [11:34:04] Testing Github issue 149: cannot pickle unsanitized molecules 25: [11:34:04] done 25/91 Test #25: graphmoltestPickler .............. Passed 0.34 sec test 26 Start 26: graphmolIterTest 26: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/graphmolIterTest 26: Test timeout computed to be: 9.99988e+06 26: [11:34:04] test1 done 26: [11:34:04] test2 done 26: [11:34:04] test3 done 26: [11:34:04] test4 done 26: [11:34:04] test5 done 26: [11:34:04] test6 done 26: [11:34:04] test7 done 26: [11:34:04] test8 done 26: [11:34:04] testIssue263 done 26/91 Test #26: graphmolIterTest ................. Passed 0.02 sec test 27 Start 27: hanoiTest 27: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/hanoiTest 27: Test timeout computed to be: 9.99988e+06 27: [11:34:04] Testing the hanoi sort 27: [11:34:04] populating vectors 27: [11:34:04] sorting (hanoi sort) vectors 27: [11:34:06] done: 500000 27: [11:34:06] Done 27: [11:34:06] Testing hanoi with a functor. 27: [11:34:06] Done 27: [11:34:06] Testing basic partition refinement. 27: [11:34:06] Done 27: [11:34:06] Testing partition refinement with neighbors. 27: [11:34:06] Done 27: [11:34:06] testing canonicalization via tie breaking. 27: [11:34:06] Done 27: [11:34:06] testing canonicalization using the wrapper. 27: [11:34:06] Done 27: [11:34:06] testing some specific ordering problems 27: [11:34:06] Finished 27: [11:34:06] testing chiral invariants. 27: [11:34:06] Finished 27: [11:34:06] testing unique ranks in w.r.t. renumbering. 27: [11:34:06] Finished 27: [11:34:06] testing mol fragments. 27: [11:34:06] Finished 27: [11:34:06] testing smiles round-tripping. 27: [11:34:06] Finished 27: [11:34:06] testing stability w.r.t. renumbering. 27: [11:34:29] Finished 27: [11:34:29] testing protein round-tripping. 27: [11:34:30] Finished 27/91 Test #27: hanoiTest ........................ Passed 26.11 sec test 28 Start 28: graphmolMemTest1 28: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/graphmolMemTest1 28: Test timeout computed to be: 9.99988e+06 28: [11:34:30] ----------------------- 28: dict 28: [11:34:30] Finished 28/91 Test #28: graphmolMemTest1 ................. Passed 0.01 sec test 29 Start 29: testDepictor 29: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/testDepictor 29: Test timeout computed to be: 9.99988e+06 29: [11:34:30] *********************************************************** 29: [11:34:30] test1 29: [11:34:30] *********************************************************** 29: 29: [11:34:30] *********************************************************** 29: [11:34:30] testCollisions 29: [11:34:30] *********************************************************** 29: 29: [11:34:30] *********************************************************** 29: [11:34:30] testAddHs 29: [11:34:30] *********************************************************** 29: 29: [11:34:30] *********************************************************** 29: [11:34:30] test198 29: [11:34:30] *********************************************************** 29: 29: [11:34:30] *********************************************************** 29: [11:34:30] test2 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] test3 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] test4 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] tempTest 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Issue248 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test Queries 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test crashes associated with RemoveHs 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test Issue 2091304 29: [11:34:30] *********************************************************** 29: [11:34:30] Warning: stereochemistry around double bond may be incorrect in depiction. 29: [11:34:30] *********************************************************** 29: [11:34:30] Test Issue 2303566 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test Issue 2821647 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test Issue 2948402 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test Issue 2995724 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Testing a change of the depictor bond length 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test Issue 3122141 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test Issue 3135833 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test Issue 3487469 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test GitHub Issue 8 29: [11:34:30] *********************************************************** 29: [11:34:30] *********************************************************** 29: [11:34:30] Test GitHub Issue 78 29: [11:34:30] *********************************************************** 29/91 Test #29: testDepictor ..................... Passed 0.28 sec test 30 Start 30: pyDepictor 30: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Depictor/Wrap/testDepictor.py" 30: Test timeout computed to be: 9.99988e+06 30: ...... 30: ---------------------------------------------------------------------- 30: Ran 6 tests in 0.367s 30: 30: OK 30/91 Test #30: pyDepictor ....................... Passed 0.58 sec test 31 Start 31: smiTest1 31: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/smiTest1 31: Test timeout computed to be: 9.99988e+06 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing molecules which should parse. 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing molecules which should fail to parse/sanitize. 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing details 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing smiles that were previously problems 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing basic SMILES canonicalization 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 127 (chiral smiles with fused rings) 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 143 (removing chiral tags for non-chiral centers) 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 151 (Chiral centers in rings with hydrogen on them not handled correctly) 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 153 (Incorrect order of ring-closure bonds from SMILES) 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 175 (cis/trans wrong on ring closures) 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 176 (problems with 'mol BOND ring_number') 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 180: Z/E problems 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 159 (cis/trans wrong in some branched systems) 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 184: Cis/Trans incorrect on ring-closure bonds 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 185: Cis/Trans incorrect on writing branches 31: [11:34:31] C(\C)=N\O 31: [11:34:31] CC(/C=P/N)=N\O 31: [11:34:31] N/P=C/C(C)=N/O 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 191: Bad bond directions in a branch 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 256: SMILES yields incorrect structure 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 266: kekulized SMILES output 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing rootedAtAtom functionality 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing isotope handling 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing SF.net bug 1670149 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing SF.net bug 1842174: bad bond dirs in branches 31: [11:34:31] F/C=N/Cl 31: [11:34:31] C(\F)=N/Cl 31: [11:34:31] F/C=C/C=C(/Cl)Br 31: [11:34:31] C(/C=C/F)=C(\Cl)Br 31: [11:34:31] O=NC1=NOC(=N\O)/C1=N\O 31: [11:34:31] O/N=C1\COC\C1=N\O 31: [11:34:31] O/N=C1\COC\[N+]1=N\O 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing SF.net bug 1844959: bad handling of Hs in chiral smiles 31: [11:34:31] -------------------------------------------- 31: [11:34:31] C[C@H]1CNOC1 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Issue 157 (Symmetric molecules with multiple chiral centers badly canonicalized) 31: [11:34:31] -**-**--------------------------------------- 31: [11:34:31] C1N[C@@H]2CC1CO2 31: [11:34:31] C1N[C@@H]2CC1CO2 31: [11:34:31] C1N[C@@H]2CC1CO2 31: [11:34:31] O=C1NC(=O)C2C1[C@H]1C=C[14C@@H]2C1 31: [11:34:31] O=C1NC(=O)C2C1[C@H]1C=C[14C@@H]2C1 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing handling of stereochemical smiles 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing sf.net bug 1942220 31: [11:34:31] done 31: [11:34:31] ----------------------- 31: Testing sf.net issue 3127883 (kekulization failing) 31: [11:34:31] Finished 31: [11:34:31] ------------------------------------- 31: [11:34:31] test adding atom-map information 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Issue 3145697 repeated ring labels in disconnected structures 31: [11:34:31] SMILES Parse Error: unclosed ring for input: C1.C11.C 31: [11:34:31] SMILES Parse Error: unclosed ring for input: C1C.CC11CCC 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Issue 3152751 cannot roundtrip charged aromatic Se and Te 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing use of replacement patterns in input 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing forcing explicit bonds in the output SMILES 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Issue 3139534: stereochemistry in larger rings 31: [11:34:31] smiles: C1=C\COCCCCC/1 31: [11:34:31] smiles: C1=C/CCCCCC/C=C/1 31: [11:34:31] smiles: C1=C\CCCCCC/C=C/1 31: [11:34:31] smiles: C1=C/CCCOC/C=C/1 31: [11:34:31] smiles: C1=C/NCCCCC/1 31: [11:34:31] smiles: C1CCCCN/C=C/1 31: [11:34:31] smiles: CCC/[N+]1=C/c2ccccc2OC(=O)\C=C/1O 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Issue 3526815: canonical smiles failure in many symmetric fragments 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Issue 3525799: bad smiles for r groups 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Issue 3526810: canonical smiles failure in symmetric heterocycles 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Issue 3528556: canonical smiles failure in cycle 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] do not repeat ring closure digits on the same atom 31: --C1CCC2(CC1)CCCCC2CCC1CCCC1 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Issue 257: unrecognized bonds are in SMILES as ?s 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing handling of ring stereochemistry 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Github 45: stereochemistry information influencing non-stereo SMILES 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Github 206: Problems round-tripping P 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Github 210: flag possible stereocenters when calling assignStereochemistry() 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Github 378: SMILES parser doing the wrong thing for odd dot-disconnected construct 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Github 389: Add option to SmilesWriter to allow writing of all explicit hydrogens 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing SF.net bug 1719046: explicit Hs in canonical smiles 31: smi: ClC1CCCCC1 31: smi: ClC1CCCCC1 31: smi: ClC1CCCCC1Br 31: smi: c1ccccc1 31: smi: c1ccncc1 31: smi: c1cc[nH]c1 31: smi: c1cc[nH]c1 31: smi: c1cc[pH]c1 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing SF.net bug 1844617: oscillating chirality in canonical smiles 31: [11:34:31] CN1CC[C@@]23[C@@H]4CC[C@@H]1[C@]2(O)CCC(=O)[C@@H]3OC4 31: [11:34:31] CN1CC[C@@]23[C@@H]4CC[C@@H]1[C@]2(O)CCC(=O)[C@@H]3OC4 31: [11:34:31] O=C1CC[C@@]2(O)[C@H]3CC[C@@H]4CO[C@@H]1[C@]42CCN3C 31: [11:34:31] O=C1CC[C@@]2(O)[C@H]3CC[C@@H]4CO[C@@H]1[C@]42CCN3C 31: [11:34:31] O=C1CC[C@@]2(O)[C@H]3CC[C@@H]4CO[C@@H]1[C@]42CCN3CC1CC1 31: [11:34:31] O=C1CC[C@@]2(O)[C@H]3CC[C@@H]4CO[C@@H]1[C@]42CCN3CC1CC1 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Fragment Smiles 31: CbC(aC)aC 31: CaC(aC)bC 31: CbC(aC)bC 31: O.C 31: [11:34:31] done 31: [11:34:31] ------------------------------------- 31: [11:34:31] Testing Github 12: non-canonical fragment smiles 31: [11:34:31] done 31: [11:34:31] testing smiles writing/canonicalization for modified molecules. 31/91 Test #31: smiTest1 ......................... Passed 0.26 sec test 32 Start 32: smaTest1 32: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SmilesParse/smaTest1 32: Test timeout computed to be: 9.99988e+06 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing patterns which should parse. 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing patterns which should fail to parse. 32: [11:34:31] Expect Parse error messages 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing matching 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing matching2 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing matching3 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing matching4 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing matching 5 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing matching 6 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing Smarts Writer. 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing fragment patterns. 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing former problems 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing Issue 196: Smarts handling of 'aa' incorrect 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing Issue 254: Bad handling of unspecified bonds in SMARTS 32: [11:34:31] done 32: [11:34:31] ------------------------------------- 32: [11:34:31] Testing Issue 255: Core leaks in smarts parsing. Watch memory consumption. 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing Issue 330: problems writing some recursive smarts. 32: [11:34:32] sma: [$(C=O)] 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing Issue 351: 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing atom map assignment: 32: [11:34:32] SMARTS Parse Error: syntax error for input: [C:10H3]CC 32: [11:34:32] SMARTS Parse Error: syntax error for input: [C:10:3]ON 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing cleaner SMARTS -> SMILES 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing SMILES -> SMARTS 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing Issue 1914154: problems with generating smarts for recursive queries 32: [11:34:32] [$(C)&$(O)] 32: [11:34:32] [$(C),$(O)] 32: [11:34:32] [!$(C)&$(O)] 32: [11:34:32] [C&$(C-O)&$(C=O)] 32: [11:34:32] [$(C=O),$(C-O);$(C-N)] 32: [11:34:32] [$(C-N);$(C=O),$(C-O)] 32: [11:34:32] [$(C-N)&$(C=O),$(C-O)] 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing miscellaneous bits of SMARTS writing 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing issue 1804420, missing assignment of atoms maps 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing handling (or lack thereof) of stereochem in smarts (sf.net issue 2738320) 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing Issue 2884178 part1: SubstructMatch not returning correct number of matches 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing Issue 2884178 part2: SubstructMatch not returning correct number of matches 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing Issue 3000399: incorrect behavior of X queries 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing serial numbers in recursive SMARTS queries 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing use of replacement patterns in input 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing github #313: problems with 'h' in SMARTS 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing github #314: problems with 'x' in SMARTS 32: [11:34:32] done 32: [11:34:32] ------------------------------------- 32: [11:34:32] Testing Github 378: SMILES parser doing the wrong thing for odd dot-disconnected construct 32: [11:34:32] done 32/91 Test #32: smaTest1 ......................... Passed 1.05 sec test 33 Start 33: fileParsersTest1 33: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/fileParsersTest1 33: Test timeout computed to be: 9.99988e+06 33: [11:34:32] testing atom query parsing 33: [11:34:32] done 33: [11:34:32] testing bond query parsing 33: [11:34:32] done 33: [11:34:32] ----------> Test4 33: [11:34:32] Finished <---------- 33: [11:34:32] ----------> Test5 33: [11:34:32] testing chirality parsing 33: [11:34:32] done 33: [11:34:32] testing Issue145: 33: Mol parsing: molecule yields non-canonical smiles from mol block 33: [11:34:32] done 33: [11:34:32] testing Issue148: 33: Mol files containing mis-drawn nitro groups not properly parsed 33: [11:34:32] done 33: [11:34:32] testing roundtrip chirality parsing 33: [11:34:32] SMI: O[C@H](S)I 33: [11:34:32] Issue142d.mol 33: RDKit 3D 33: 33: 4 3 0 0 0 0 0 0 0 0999 V2000 33: -0.6675 -0.6843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33: -0.0196 -0.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33: 0.6675 -0.6517 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 33: -0.0948 0.6843 0.0000 I 0 0 0 0 0 0 0 0 0 0 0 0 33: 2 1 1 1 33: 3 2 1 0 33: 2 4 1 0 33: M END 33: 33: [11:34:32] 9 9 33: [11:34:32] done 33: [11:34:32] testing reading without sanitization 33: [11:34:32] done 33: [11:34:32] testing Issue180: bad Z/E assignments 33: [11:34:32] done 33: [11:34:32] testing Issue264: bad stereochemistry from mol files 33: [11:34:32] O=C1Nc2ccc(Br)cc2/C1=N/c1ccccc1 33: [11:34:32] O=C1Nc2ccc(Br)cc2/C1=N\c1ccccc1 33: [11:34:32] done 33: [11:34:32] testing Issue399: bond wedging cleanup 33: [11:34:32] done 33: [11:34:32] testing handling of charge lines 33: [11:34:32] done 33: [11:34:32] testing basic double bond stereochemistry 33: [11:34:32] sub-test for issue 3099836 33: [11:34:32] done 33: [11:34:32] testing double bonds with symmetric substituents 33: [11:34:32] done 33: [11:34:32] testing double bonds in rings with stereochem specifications 33: [11:34:32] done 33: [11:34:32] testing mol file R-group parsing 33: [11:34:32] done 33: [11:34:32] testing mol file degree queries 33: [11:34:32] done 33: [11:34:32] testing mol file ring-bond count queries 33: [11:34:32] done 33: [11:34:32] testing mol file unsaturation queries 33: [11:34:32] done 33: [11:34:32] testing mol file queries -> SMARTS 33: [11:34:32] done 33: [11:34:32] testing handling of missing files 33: [11:34:32] done 33: [11:34:32] testing issue Issue1965035: problems with WedgeMolBonds 33: [11:34:32] done 33: [11:34:32] testing handling of radicals 33: [11:34:32] done 33: [11:34:32] testing handling of bogus bond orders (issue 2337369) 33: [11:34:32] bond with order 0 found on line 7. This is not part of the MDL specification. 33: [11:34:32] unrecognized query bond type, 9, found on line 7. Using an "any" query. 33: [11:34:32] done 33: [11:34:32] testing handling of atom stereo parity flags 33: [11:34:32] done 33: [11:34:32] Testing issue 2692246 33: [11:34:32] done 33: [11:34:32] Testing mol blocks without kekulization 33: [11:34:32] done 33: [11:34:32] testing atom values in mol files 33: [11:34:32] done 33: [11:34:32] testing handling of A, Q, and * in mol files 33: [11:34:32] done 33: [11:34:32] testing handling of mol files with atom lists and values 33: [11:34:32] done 33: [11:34:32] testing basic handling of v3000 mol files 33: [11:34:32] skipping block at line 25: BEGIN COLLECTION 33: [11:34:32] done 33: [11:34:32] Testing issue 2963522 33: [11:34:32] done 33: [11:34:32] Testing issue 3073163 33: [11:34:32] done 33: [11:34:32] Testing Issue3154208 (a large mol failure) 33: generating smiles 33: smiles: c12n(C3OC(COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)C(OP(S)(=O)OCC(COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(cc5)c(=O)[nH]c(N)n6)OC4COP(OC4C(O)C(n5c(=O)[nH]c(=O)cc5)OC4COP(OC4C(O)C(n5c(=O)nc(N)cc5)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4COP(OC4C(O)C(n5c6c(nc5)c(N)ncn6)OC4CO)(=O)S)(=O)S)(=O)S)(S)=O)(S)=O)(=O)S)(=O)S)(S)=O)(=O)S)(S)=O)(S)=O)O)C3O)ccc1c(=O)[nH]c(N)n2 33: converting back 33: check isomorphism 33: [11:34:32] Large molecule canonical smiles test 33: [11:34:32] Iteration: 1 of 50 33: [11:34:32] Iteration: 11 of 50 33: [11:34:33] Iteration: 21 of 50 33: [11:34:34] Iteration: 31 of 50 33: [11:34:34] Iteration: 41 of 50 33: [11:34:35] done 33: [11:34:35] ------------------------------------- 33: [11:34:35] Issue 3228150: round-trip stereochemistry failure 33: [11:34:35] : C/N=C1/CC/C(=N/C)O1 33: [11:34:35] : C/N=C1/CC/C(=N/C)O1 33: [11:34:35] : C/N=C1\C(=O)/C(=N\C)C2/C(=N/C)C(=O)/C(=N\C)C12 33: [11:34:35] : C/N=C1\C(=O)/C(=N\C)C2/C(=N/C)C(=O)/C(=N\C)C12 33: [11:34:35] done 33: [11:34:35] testing writing mol file R-groups (issue 3313540) 33: [11:34:35] done 33: [11:34:35] ----------> Test issue 3359739 33: [11:34:35] Finished <---------- 33: [11:34:35] ----------> Test issue 3374639 33: [11:34:35] Finished <---------- 33: [11:34:35] ----------> Test three-coordinate chirality 33: [11:34:35] Warning: conflicting stereochemistry at atom 1 ignored. 33: [11:34:35] Warning: conflicting stereochemistry at atom 1 ignored. 33: [11:34:35] Warning: conflicting stereochemistry at atom 1 ignored. 33: [11:34:35] Warning: conflicting stereochemistry at atom 1 ignored. 33: [11:34:35] Finished <---------- 33: [11:34:35] ----------> Test issue 3375647 33: [11:34:35] Finished <---------- 33: [11:34:35] ----------> Test issue 3375684 33: [11:34:35] Finished <---------- 33: [11:34:35] ----------> Test handling of chiral phosphorous 33: [11:34:35] Finished <---------- 33: [11:34:35] ----------> Test issue 3392107 33: [11:34:35] Finished <---------- 33: [11:34:35] ----------> Test issue 3432136 33: [11:34:35] Unhandled CTAB feature: S group MON on line: 14. Molecule skipped. 33: [11:34:35] Unhandled CTAB feature: S group MON on line 22 on line: 22. Molecule skipped. 33: [11:34:35] S group SUP ignored on line 35. 33: [11:34:35] S group SUP ignored on line 28 33: [11:34:35] Finished <---------- 33: [11:34:35] ----------> Test issue 3477283 33: [11:34:35] deprecated group abbreviation ignored on line 24 33: [11:34:35] Finished <---------- 33: [11:34:35] ----------> Test issue 3484552 33: [11:34:35] Finished <---------- 33: [11:34:35] ----------> Test issue 3514824 33: [11:34:35] Finished <---------- 33: [11:34:35] ------------------------------------- 33: [11:34:35] Issue 3525799: bad smiles for r groups 33: smiles: [1*]c1c([2*])c([3*])c([4*])c(-c2c([9*])oc3c([8*])c([7*])c([6*])c([5*])c3c2=O)c1[10*] 33: [11:34:35] done 33: [11:34:35] ------------------------------------- 33: [11:34:35] Testing skip lines in CTABs 33: [11:34:35] done 33: [11:34:35] ------------------------------------- 33: [11:34:35] Bad issue 269: handling of bad atom symbols in CTABs 33: [11:34:35] 33: 33: **** 33: Post-condition Violation 33: Element 'Lv' not found 33: Violation occurred on line 91 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PeriodicTable.h 33: Failed Expression: anum>-1 33: **** 33: 33: [11:34:35] done 33: [11:34:35] testing handling of chiral flags 33: [11:34:35] done 33: [11:34:35] testing handling of mol file valence flags 33: [11:34:35] done 33: [11:34:35] testing github issue 88: M END not being read from V3K ctabs 33: [11:34:35] done 33: [11:34:35] testing github issue 82: stereochemistry only perceived if sanitization is done 33: [11:34:35] done 33: [11:34:35] testing impact of Hs in mol files on stereochemistry 33: [11:34:35] done 33: [11:34:35] testing reading reactions in mol files 33: [11:34:35] done 33: [11:34:35] testing Github 166: skipping sanitization on reading pdb files 33: [11:34:35] done 33: [11:34:35] testing ZBO parsing 33: [11:34:35] done 33: [11:34:35] testing Github 164: problems with Xe from mol files 33: [11:34:35] done 33: [11:34:35] testing reading pdb files 33: [11:34:35] done 33: [11:34:35] testing github issue 194: bad bond types from pdb 33: [11:34:35] done 33: [11:34:35] testing github issue 196: left justitified bond topology 33: [11:34:35] done 33: [11:34:35] ------------------------------------- 33: [11:34:35] Bad issue 3557676: handling of D and T in CTABs 33: [11:34:35] done 33: [11:34:35] testing basic writing of v3000 mol files 33: [11:34:36] done 33: [11:34:36] testing more queries from v3000 mol files 33: [11:34:36] done 33: [11:34:36] ----------------------- 33: Testing github issue 191: wavy bonds to Hs should affect attached double bond stereochemistry. 33: [11:34:36] Finished 33: [11:34:36] ------------------------------------- 33: [11:34:36] Testing Github 210: flag possible stereocenters when calling assignStereochemistry() 33: [11:34:36] Finished 33: [11:34:36] testing splitting on PDB residues 33: [11:34:37] done 33: [11:34:37] ------------------------------------- 33: [11:34:37] Testing Github 337: No double bond stereo perception from CTABs when sanitization is turned off 33: [11:34:37] Finished 33: [11:34:37] ------------------------------------- 33: [11:34:37] Testing Github 360: Computed props on non-sanitized molecule interfering with substructure matching 33: [11:34:37] Finished 33/91 Test #33: fileParsersTest1 ................. Passed 4.63 sec test 34 Start 34: testMolSupplier 34: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/testMolSupplier 34: Test timeout computed to be: 9.99988e+06 34: [11:34:37] 34: ----------------------------------------- 34: [11:34:37] Finished: testMolSup() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testRandMolSup() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testSmilesSup() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] ------------------------------------------------------ 34: [11:34:37] SMILES Parse Error: syntax error for input: fail 34: [11:34:37] ERROR: Smiles parse error on line 3 34: [11:34:37] ERROR: Cannot create molecule from : 'fail' 34: [11:34:37] ------------------------------------------------------ 34: [11:34:37] ------------------------------------------------------ 34: [11:34:37] >>> This may result in an infinite loop. It should finish almost immediately: 34: [11:34:37] <<< done. 34: [11:34:37] Finished: testSmilesSupFromText() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testSmilesWriter() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] 48 34: [11:34:37] 78 34: [11:34:37] 128 34: [11:34:37] 163 34: [11:34:37] 164 34: [11:34:37] 170 34: [11:34:37] 180 34: [11:34:37] 186 34: [11:34:37] 192 34: [11:34:37] 203 34: [11:34:37] 210 34: [11:34:37] 211 34: [11:34:37] 213 34: [11:34:37] 220 34: [11:34:37] 229 34: [11:34:37] 256 34: [11:34:37] 16 34: [11:34:37] Finished: testSDWriter() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testSDSupplierEnding() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testSuppliersEmptyFile() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testCisTrans() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testStereoRound() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testIssue226() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testTDTSupplier1() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testTDTSupplier2() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testTDTSupplier3() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testSDSupplierFromText() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testIssue265() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] ERROR: End of data field name not found 34: [11:34:37] ERROR: moving to the begining of the next molecule 34: [11:34:37] Explicit valence for atom # 0 F, 2, is greater than permitted 34: [11:34:37] ERROR: Could not sanitize molecule ending on line 16 34: [11:34:37] ERROR: Explicit valence for atom # 0 F, 2, is greater than permitted 34: [11:34:37] ERROR: Atom line too short: ' 1 2 1 0 0 0 0' on line 12 34: [11:34:37] ERROR: moving to the begining of the next molecule 34: [11:34:37] ERROR: Bond line too short: 'M END' on line 18 34: [11:34:37] ERROR: moving to the begining of the next molecule 34: [11:34:37] Finished: testSDErrorHandling() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testIssue381() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testSetStreamIndices() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testMixIterAndRandom() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: build: 34: [11:34:37] Finished: testRemoveHs() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testGetItemText() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testForwardSDSupplier() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testMissingCRSDSupplier() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testIssue3482695() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Unhandled CTAB feature: S group SRU on line: 75. Molecule skipped. 34: [11:34:37] Unhandled CTAB feature: S group SRU on line: 245. Molecule skipped. 34: [11:34:37] Unhandled CTAB feature: S group SRU on line: 324. Molecule skipped. 34: [11:34:37] Unhandled CTAB feature: S group SRU on line: 537. Molecule skipped. 34: [11:34:37] ERROR: Cannot convert to int on line 558 34: [11:34:37] ERROR: moving to the begining of the next molecule 34: [11:34:37] Unhandled CTAB feature: S group SRU on line: 884. Molecule skipped. 34: [11:34:37] Finished: testIssue3525673() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testBlankLinesInProps() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testSkipLines() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testGitHub23() 34: [11:34:37] ----------------------------------------- 34: 34: [11:34:37] ----------------------------------------- 34: [11:34:37] Finished: testGitHub88() 34: [11:34:37] ----------------------------------------- 34: 34/91 Test #34: testMolSupplier .................. Passed 0.12 sec test 35 Start 35: testMolWriter 35: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/testMolWriter 35: Test timeout computed to be: 9.99988e+06 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testSmilesWriter() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testSmilesWriter2() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testSmilesWriterNoNames() 35: [11:34:37] SMILES Parse Error: syntax error for input: CC1=CC(=O)C=CC1=O 34.14 35: [11:34:37] ERROR: Smiles parse error on line 1 35: [11:34:37] ERROR: Cannot create molecule from : 'CC1=CC(=O)C=CC1=O 34.14' 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testSmilesWriterClose() 35: [11:34:37] SMILES Parse Error: syntax error for input: CC1=CC(=O)C=CC1=O 34.14 35: [11:34:37] ERROR: Smiles parse error on line 1 35: [11:34:37] ERROR: Cannot create molecule from : 'CC1=CC(=O)C=CC1=O 34.14' 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testSDWriter() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testTDTWriter() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testSmilesWriterStrm() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testSDWriterStrm() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testTDTWriterStrm() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testSDMemoryCorruption() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testIssue265() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testMolFileChiralFlag() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing handling of mol file valence flags 35: [11:34:37] done 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing handling of mol files with reactions 35: [11:34:37] done 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing handling of ZBO specs 35: MOLBLOCK: 35: 35: RDKit 2D 35: 35: 11 10 0 0 0 0 0 0 0 0999 V2000 35: -0.3380 0.2050 0.0000 Fe 0 0 0 0 0 0 0 0 0 0 0 0 35: 0.4870 0.2050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35: -1.0524 -0.2075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35: -1.0524 0.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35: 1.3120 0.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35: -1.7669 -0.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35: -1.7669 1.0300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35: -0.3380 1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35: -0.3380 -0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35: -0.3380 1.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35: -0.3380 -1.4450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35: 1 2 1 0 35: 1 3 1 0 35: 1 4 1 0 35: 2 5 2 0 35: 3 6 2 0 35: 4 7 2 0 35: 1 8 1 0 35: 1 9 1 0 35: 8 10 2 0 35: 9 11 2 0 35: M ZBO 5 1 0 2 0 3 0 7 0 8 0 35: M HYD 6 1 0 2 2 3 2 4 2 8 2 9 2 35: M END 35: ------ 35: [11:34:37] done 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] testing SDWriter options 35: [11:34:37] done 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing details of v3000 writing 35: [11:34:37] done 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing github issue 187: A not written to mol block 35: [11:34:37] done 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing github issue 186: chiral S not written to ctab 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing github issue 189: Problems round-tripping Al2Cl6 via CTAB 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing github issue 266: Bond query information written to CTAB 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing github issue 268: Bond topology information written to CTAB 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing github issue 357: Hydrogens in mol blocks have a valence value set 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing test needsUpdatePropertyCache functionality in SDwriter 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] Running testIssue3525000() 35: [11:34:37] Finished 35: [11:34:37] ----------------------------------------- 35: 35: [11:34:37] ----------------------------------------- 35: [11:34:37] testing github issue 488: SmilesWriter not creating automatic name values for molecules read from CTABs 35: [11:34:37] ----------------------------------------- 35: 35/91 Test #35: testMolWriter .................... Passed 0.22 sec test 36 Start 36: testTplParser 36: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/testTplParser 36: Test timeout computed to be: 9.99988e+06 36: [11:34:37] testing basic tpl parsing 36: [11:34:37] done 36: [11:34:37] testing tpl writing 36: [11:34:37] done 36/91 Test #36: testTplParser .................... Passed 0.01 sec test 37 Start 37: testMol2ToMol 37: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FileParsers/testMol2ToMol 37: Test timeout computed to be: 9.99988e+06 37: [11:34:37] --------------------------------------- 37: [11:34:37] -- testing general mol2 file parsing -- 37: [11:34:37] --------------------------------------- 37: [11:34:37] ------------------------------------ 37: [11:34:37] -- DONE general mol2 file parsing -- 37: [11:34:37] ------------------------------------ 37: [11:34:37] --------------------------------------- 37: [11:34:37] -- testing subst arom groups in mol2 -- 37: [11:34:37] --------------------------------------- 37: [11:34:37] ------------------------------------ 37: [11:34:37] -- DONE subst arom groups in mol2 -- 37: [11:34:37] ------------------------------------ 37: [11:34:37] --------------------------------------- 37: [11:34:37] -- testing issue 3399798 -- 37: [11:34:37] --------------------------------------- 37: [11:34:37] ------------------------------------ 37: [11:34:37] -- DONE -- 37: [11:34:37] ------------------------------------ 37: [11:34:37] ----------------------------------- 37: [11:34:37] -- testing GitHub issue #114 -- 37: [11:34:37] ----------------------------------- 37: [11:34:37] ------------------------------------ 37: [11:34:37] -- DONE -- 37: [11:34:37] ------------------------------------ 37: [11:34:37] ----------------------------------- 37: [11:34:37] -- testing GitHub issue #438: problems with metals in mol2 files -- 37: [11:34:37] ----------------------------------- 37: [11:34:37] ------------------------------------ 37: [11:34:37] -- DONE -- 37: [11:34:37] ------------------------------------ 37/91 Test #37: testMol2ToMol .................... Passed 0.02 sec test 38 Start 38: testSubstructMatch 38: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Substruct/testSubstructMatch 38: Test timeout computed to be: 9.99988e+06 38: ----------------- Test 1 38: Done 38: 38: ----------------- Test 2 38: Done 38: 38: ----------------- Test 3 38: Done 38: 38: ----------------- Test 4 38: Done 38: 38: ----------------- Test 5 38: Done 38: 38: ----------------- Test 5 QueryRoot 38: Done 38: 38: ----------------- Test 6 (Issue71 related) 38: Done 38: 38: ----------------- Testing serial numbers on recursive queries 38: Done 38: 38: [11:34:37] ------------------------------------- 38: [11:34:37] Test chiral matching 38: [11:34:37] done 38: [11:34:37] ------------------------------------- 38: [11:34:37] Test cis/trans matching 38: [11:34:37] done 38: [11:34:37] ------------------------------------- 38: [11:34:37] Test GitHub issue 15 38: [11:34:37] done 38: [11:34:37] ------------------------------------- 38: [11:34:37] Test GitHub issue 409 38: [11:34:37] done 38/91 Test #38: testSubstructMatch ............... Passed 0.01 sec test 39 Start 39: testReaction 39: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/testReaction 39: Test timeout computed to be: 9.99988e+06 39: [11:34:37] ******************************************************** 39: [11:34:37] Testing Chemical Reactions 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing ChemicalReaction infrastructure 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing simple reactions 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing ring formation reactions 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing reactions forming multiple products 39: smi: O=C1CNC(=O)CN1 39: 1: O=C1CNC(=O)CN1 39: 2: COOC 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing salt handling 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing Daylight parser 39: [11:34:37] SMARTS Parse Error: syntax error for input: [Q:1][C:2][C:3](=[O:4])[O:5] 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing MDL parser 39: O=C1CNC(=O)CN1 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing Reaction Validation. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] done 39: [11:34:37] mapped atoms in the reactants were not mapped in the products. 39: unmapped numbers are: 4 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing handling of query atoms in the products 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing Chirality handling 39: [11:34:37] F[C@@](Cl)(Br)I 39: [11:34:37] FC(Cl)(Br)I 39: [11:34:37] F[C@@](Cl)(Br)I 39: [11:34:37] FC(Cl)(Br)I 39: [11:34:37] F[C@](Cl)(Br)I 39: [11:34:37] FC(Cl)(Br)I 39: [11:34:37] F[C@@](Cl)(Br)I 39: [11:34:37] F[C@@](Cl)(Br)I 39: [11:34:37] F[C@@](Cl)(Br)I 39: [11:34:37] F[C@](Cl)(Br)I 39: [11:34:37] F[C@](Cl)(Br)I 39: [11:34:37] FC(Cl)(Br)I 39: [11:34:37] FC(Cl)(Br)I 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing Chirality handling (rxn) 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing handling of double bond stereochemistry 39: [11:34:37] [*]C(=O)/C=C/Cl 39: [11:34:37] C/C=C/Cl 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing sf.net Issue 1748846: bad bond orders in reaction products 39: [11:34:37] 1 39: [11:34:37] COCc1ccccc1 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing sf.net Issue 1804420: bad handling of query atoms in products. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing sf.net Issue 1882749: property handling in products. 39: [11:34:37] atom 0 in product 0 has multiple charge specifications. 39: mass: 15.0001 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing parser exception handling 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing sf.net Issue 1920627: chirality flip in reactions. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing property transfer in reactions. 39: Oc1ccccn1 39: Oc1ccc[nH]1 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing sf.net Issue 2050085: recap failing on chiral molecules. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing bond queries in the product. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing sf.net Issue 2540021: bad handling of atoms with explicit Hs. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing using dots in the products to remove bonds. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing pickling and depickling reactions. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing preservation of atom flags from rxn files. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing transfer of conformer data from reactants->products. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing v3000 MDL parser 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing reaction SMARTS writer. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing reaction depictor. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing RXN file writer. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing reactant and product queries. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing Issue 3140490. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing string replacement in parsing. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing getReactingAtoms() 1. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing getReactingAtoms() 2 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing grouping parens in reactants1 39: [11:34:37] SMARTS Parse Error: syntax error for input: ([C:1](=O)O.[C:2] 39: [11:34:37] SMARTS Parse Error: syntax error for input: ([C:2] 39: [11:34:37] SMARTS Parse Error: syntax error for input: [C:1](=O)O).[C:2] 39: [11:34:37] SMARTS Parse Error: syntax error for input: [C:2]) 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing grouping parens in reactants2 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing use of _protected property on atoms. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing use of adding recursive queries to a reaction. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing loss of chirality on innocent atoms. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing handling of agents in reaction smarts 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing github 233: chirality not preserved in nonmapped atoms 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing Daylight parser 39: [11:34:37] SMILES Parse Error: syntax error for input: [Q:1][C:2][C:3](=[O:4])[O:5] 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing github 243: dummy labels copied into products 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing github 290: seg fault while parsing rxn 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing reaction SMILES writer. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing handling of reaction agents. 39: [11:34:37] reactant 2 has no mapped atoms. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing the conversion of a molecule with Rxn role to a reaction and vice versa. 39: [11:34:37] >> Atoms within one molecule have different RXN roles. 39: [11:34:37] >> Fragment 0 not included in the reaction, atoms do not have a correct RXN role. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing grouping parens in products1 39: [11:34:37] SMARTS Parse Error: syntax error for input: ([C:1][C:2] 39: [11:34:37] SMARTS Parse Error: syntax error for input: ([C:2] 39: [11:34:37] SMARTS Parse Error: syntax error for input: [C:1][C:2]) 39: [11:34:37] SMARTS Parse Error: syntax error for input: [C:1]).[C:2] 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing grouping parens in products2 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing RNX file parser with empty agent column 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing RNX from patent data 39: [11:34:37] reactant 0 has no mapped atoms. 39: [11:34:37] reactant 1 has no mapped atoms. 39: [11:34:37] reactant 3 has no mapped atoms. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: [11:34:37] product atom-mapping number 5 found multiple times. 39: [11:34:37] product atom-mapping number 6 found multiple times. 39: [11:34:37] product atom-mapping number 7 found multiple times. 39: [11:34:37] product atom-mapping number 8 found multiple times. 39: [11:34:37] product atom-mapping number 12 found multiple times. 39: [11:34:37] product atom-mapping number 9 found multiple times. 39: [11:34:37] product atom-mapping number 10 found multiple times. 39: [11:34:37] product atom-mapping number 11 found multiple times. 39: [11:34:37] reactant 0 has no mapped atoms. 39: [11:34:37] reactant 1 has no mapped atoms. 39: [11:34:37] reactant 3 has no mapped atoms. 39: [11:34:37] reactant atom-mapping number 19 found multiple times. 39: [11:34:37] reactant atom-mapping number 25 found multiple times. 39: [11:34:37] reactant atom-mapping number 20 found multiple times. 39: [11:34:37] reactant atom-mapping number 21 found multiple times. 39: [11:34:37] reactant atom-mapping number 22 found multiple times. 39: [11:34:37] reactant atom-mapping number 23 found multiple times. 39: [11:34:37] reactant atom-mapping number 24 found multiple times. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing products redundant atom mapping numbers in run_reactants 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing reaction substructure matching w/o agents 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing products with redundant atom mapping numbers and chirality 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: F[C@@](Cl)(Br)ONO[C@@](F)(Cl)Br 39: [11:34:37] product atom-mapping number 5 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: [11:34:37] product atom-mapping number 5 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: F[C@@](Cl)(Br)ONO[C@](F)(Cl)Br 39: [11:34:37] product atom-mapping number 5 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: [11:34:37] product atom-mapping number 5 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: F[C@@](Cl)(Br)ONO[C@@](F)(Cl)Br 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: F[C@@](Cl)(Br)O[C@](F)(Cl)Br 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: F[C@@](Cl)(Br)O[C@@](F)(Cl)Br 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing products with redundant atom mapping numbers and chirality 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 4 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] mapped atoms in the reactants were not mapped in the products. 39: unmapped numbers are: 4 39: [11:34:37] product atom-mapping number 3 found multiple times. 39: [11:34:37] product atom-mapping number 2 found multiple times. 39: [11:34:37] product atom-mapping number 1 found multiple times. 39: [11:34:37] mapped atoms in the reactants were not mapped in the products. 39: unmapped numbers are: 4 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing old pickle file with new agent version 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing introduction of new atoms with chirality 39: [11:34:37] product atom-mapping number 6 not found in reactants. 39: [11:34:37] product atom-mapping number 7 not found in reactants. 39: [11:34:37] product atom-mapping number 8 not found in reactants. 39: [11:34:37] F[C@](Cl)(I)N[C@H](Cl)Br 39: [11:34:37] [C@@H:1]([F:2])([CH3:3])[CH2:4][CH2:5][Br:6]>>[C@H:1]([F:2])([CH3:3])[CH2:4][CH2:5][CH2:7][C@H:8]([Cl:10])[CH3:9] 39: [11:34:37] product atom-mapping number 7 not found in reactants. 39: [11:34:37] product atom-mapping number 8 not found in reactants. 39: [11:34:37] product atom-mapping number 9 not found in reactants. 39: [11:34:37] product atom-mapping number 10 not found in reactants. 39: [11:34:37] mapped atoms in the reactants were not mapped in the products. 39: unmapped numbers are: 6 39: [11:34:37] C[C@H](F)CCC[C@@H](C)Cl 39: [11:34:37] [C@@H:1]([F:2])([CH3:3])[CH2:4][CH2:5][Br:6]>>[C@H:1]([F:2])([CH3:3])[CH2:4][CH2:5][CH2:7][C@H:8]([Cl:10])[CH3:9] 39: [11:34:37] product atom-mapping number 7 not found in reactants. 39: [11:34:37] product atom-mapping number 8 not found in reactants. 39: [11:34:37] product atom-mapping number 9 not found in reactants. 39: [11:34:37] product atom-mapping number 10 not found in reactants. 39: [11:34:37] mapped atoms in the reactants were not mapped in the products. 39: unmapped numbers are: 6 39: [11:34:37] C[C@H](F)CCC[C@@H](C)Cl 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing round trip molFileValue 39: [11:34:37] done 39: [11:34:37] ------------------------------------- 39: [11:34:37] Testing canonicatization of reactions 39: [11:34:37] ******************************************************* 39/91 Test #39: testReaction ..................... Passed 0.06 sec test 40 Start 40: testReactionFingerprints 40: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/testReactionFingerprints 40: Test timeout computed to be: 9.99988e+06 40: [11:34:37] ******************************************************** 40: [11:34:37] Testing Chemical Reaction Fingerprints 40: [11:34:37] ------------------------------------- 40: [11:34:37] Test Reaction StructuralFingerprint 40: [11:34:37] ------------------------------------- 40: [11:34:37] Test Reaction DifferenceFingerprint 40: [11:34:37] ******************************************************* 40/91 Test #40: testReactionFingerprints ......... Passed 0.02 sec test 41 Start 41: pyChemReactions 41: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemReactions/Wrap/testReactionWrapper.py" 41: Test timeout computed to be: 9.99988e+06 41: .......[11:34:37] mapped atoms in the reactants were not mapped in the products. 41: unmapped numbers are: 3 41: [11:34:37] mapped atoms in the reactants were not mapped in the products. 41: unmapped numbers are: 3 41: ..[11:34:37] reactant 2 has no mapped atoms. 41: [11:34:37] reactant 2 has no mapped atoms. 41: [11:34:37] product 1 has no mapped atoms. 41: ......[11:34:37] SMARTS Parse Error: syntax error for input: [C:1](=[O:2])Q 41: [11:34:37] SMARTS Parse Error: syntax error for input: [C:1](=[O:2])[N:3]Q 41: .[11:34:37] reactant atom-mapping number 1 found multiple times. 41: [11:34:37] product atom-mapping number 2 not found in reactants. 41: [11:34:37] mapped atoms in the reactants were not mapped in the products. 41: unmapped numbers are: 4 41: [11:34:37] product atom-mapping number 5 not found in reactants. 41: .... 41: ---------------------------------------------------------------------- 41: Ran 20 tests in 0.015s 41: 41: OK 41/91 Test #41: pyChemReactions .................. Passed 0.10 sec test 42 Start 42: testChemTransforms 42: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ChemTransforms/testChemTransforms 42: Test timeout computed to be: 9.99988e+06 42: [11:34:37] ******************************************************** 42: [11:34:37] Testing Chemical Transforms 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing deleteSubstruct 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing replaceSubstruct 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] More testing of replaceSubstruct 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing replaceSidechains 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing replaceCore 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing replaceCore with labels 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing a former crash in replaceCore 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing that atom positions are correctly copied by replaceCore 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing murcko decomposition 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing replaceCore requiring dummy atoms 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing that atom positions are correctly copied by replaceSubstructs 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing handling of substituted non-carbon aromatic atoms 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing combination of molecules 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing adding recursive queries to a molecule 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing parsing query definition file 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing sf.net issue 275: Murcko decomposition with chiral atoms 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing fragmentOnBonds 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing fragmentOnBRICSBonds 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing fragmentOnSomeBonds 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing github issue 429: fragmentOnSomeBonds() should update implicit H count on aromatic heteroatoms when addDummies is False 42: [11:34:37] done 42: [11:34:37] ------------------------------------- 42: [11:34:37] Testing github issue 430: fragmentOnSomeBonds() crashes if bond list is empty 42: [11:34:37] done 42: [11:34:37] ******************************************************* 42/91 Test #42: testChemTransforms ............... Passed 0.04 sec test 43 Start 43: testSubgraphs1 43: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/testSubgraphs1 43: Test timeout computed to be: 9.99988e+06 43: ----------------------- 43: Subgraph retrieval 43: Finished 43: ----------------------- 43: testSubgraphs2a 43: Finished 43: ----------------------- 43: testSubgraphs2 43: Finished 43: ----------------------- 43: Path retrieval 43: Finished 43: ----------------------- 43: Path retrieval2 43: Finished 43: ----------------------- 43: Unique Subgraph retrieval 43: Finished 43: ----------------------- 43: testUniqueSubgraphs2 43: Finished 43: ----------------------- 43: testRootedSubgraphs 43: Finished 43: ----------------------- 43: testRootedPaths 43: Finished 43/91 Test #43: testSubgraphs1 ................... Passed 0.24 sec test 44 Start 44: testSubgraphs2 44: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Subgraphs/testSubgraphs2 44: Test timeout computed to be: 9.99988e+06 44: ----------------------- 44: Test1: pathToSubmol 44: Finished 44: ----------------------- 44: Test2: Atom Environments 44: Finished 44: ----------------------- 44: Testing github Issue103: stereochemistry and pathToSubmol 44: Finished 44/91 Test #44: testSubgraphs2 ................... Passed 0.01 sec test 45 Start 45: testFragCatalog 45: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/testFragCatalog 45: Test timeout computed to be: 9.99988e+06 45: 21 45: [11:34:37] ----- Test 1 45: [11:34:37] ---- Done 45: [11:34:37] ----- Test 2 45: [11:34:38] ---- Done 45: [11:34:38] ----- Test 3 45: [11:34:38] ---- Done 45: [11:34:38] ----- Test Issue 115 45: [11:34:38] ---- Done 45: [11:34:38] ----- Test Issue 117 45: [11:34:38] ---- Done 45: [11:34:38] ---- Test Issue294 45: Watch memory usage. 45: [11:34:38] ---- Done 45/91 Test #45: testFragCatalog .................. Passed 0.51 sec test 46 Start 46: pyFragCatalog 46: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FragCatalog/Wrap/rough_test.py" 46: Test timeout computed to be: 9.99988e+06 46: ......... 46: ---------------------------------------------------------------------- 46: Ran 9 tests in 0.113s 46: 46: OK 46/91 Test #46: pyFragCatalog .................... Passed 0.33 sec test 47 Start 47: testDescriptors 47: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/testDescriptors 47: Test timeout computed to be: 9.99988e+06 47: [11:34:38] ------------------------------------- 47: [11:34:38] Test Crippen parameter acquisition. 47: [11:34:38] done 47: [11:34:38] ------------------------------------- 47: [11:34:38] Test Crippen calculation. 47: [11:34:38] done 47: [11:34:38] ------------------------------------- 47: [11:34:38] Test Issue262: problems with Crippen calculation from pickles. 47: [11:34:38] done 47: [11:34:38] ------------------------------------- 47: [11:34:38] Test AMW calculation. 47: [11:34:38] done 47: [11:34:38] ------------------------------------- 47: [11:34:38] Test Exact MW calculation. 47: [11:34:38] done 47: [11:34:38] ------------------------------------- 47: [11:34:38] Test Labute ASA descriptors. 47: [11:34:38] done 47: [11:34:38] ------------------------------------- 47: [11:34:38] Test TPSA descriptors. 47: [11:34:38] done 47: [11:34:38] ------------------------------------- 47: [11:34:38] Test Lipinski parameters. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test VSA descriptors. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test molecular formula calculation. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test Issue 3415534. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test Issue3433771: Bad definition for Crippen atom type O11. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test Issue252: Bad definitions for Crippen atom types. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test calculation of ChiVs. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test calculation of ChiNs. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test calculation of HallKierAlpha. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test calculation of Kappa1. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test calculation of Kappa2. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test calculation of Kappa3. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test Crippen atom type calculations. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test ring descriptors 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test other count descriptors. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test MQN 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test GitHub Issue 56. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test Github92: Bad Crippen atom type for pyrrole H. 47: [11:34:39] done 47: [11:34:39] ------------------------------------- 47: [11:34:39] Test Github362: order dependence in Kier-Hall descriptors. 47: [11:34:39] done 47/91 Test #47: testDescriptors .................. Passed 0.37 sec test 48 Start 48: pyMolDescriptors 48: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Descriptors/Wrap/testMolDescriptors.py" 48: Test timeout computed to be: 9.99988e+06 48: .............. 48: ---------------------------------------------------------------------- 48: Ran 14 tests in 0.021s 48: 48: OK 48/91 Test #48: pyMolDescriptors ................. Passed 0.17 sec test 49 Start 49: testFingerprints 49: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Fingerprints/testFingerprints 49: Test timeout computed to be: 9.99988e+06 49: [11:34:39] testing basics 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: Atoms: 49: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 1 conj?: 1 aromatic?: 0 49: 1 1->2 order: 12 conj?: 1 aromatic?: 1 49: 2 2->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 12 conj?: 1 aromatic?: 1 49: 4 4->5 order: 12 conj?: 1 aromatic?: 1 49: 5 5->6 order: 12 conj?: 1 aromatic?: 1 49: 6 6->7 order: 12 conj?: 1 aromatic?: 1 49: 7 7->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 1 conj?: 1 aromatic?: 0 49: 9 8->10 order: 12 conj?: 1 aromatic?: 1 49: 10 10->1 order: 12 conj?: 1 aromatic?: 1 49: 11 7->3 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: SMI: Oc1cc2[nH]cnc2c(O)n1 49: Atoms: 49: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 1 conj?: 1 aromatic?: 0 49: 1 1->2 order: 12 conj?: 1 aromatic?: 1 49: 2 2->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 12 conj?: 1 aromatic?: 1 49: 4 4->5 order: 12 conj?: 1 aromatic?: 1 49: 5 5->6 order: 12 conj?: 1 aromatic?: 1 49: 6 6->7 order: 12 conj?: 1 aromatic?: 1 49: 7 7->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 1 conj?: 1 aromatic?: 0 49: 9 8->10 order: 12 conj?: 1 aromatic?: 1 49: 10 10->1 order: 12 conj?: 1 aromatic?: 1 49: 11 7->3 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: SMI: c1(O)cc2[nH]cnc2c(O)n1 49: Atoms: 49: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 5 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 1 conj?: 1 aromatic?: 0 49: 1 0->2 order: 12 conj?: 1 aromatic?: 1 49: 2 2->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 12 conj?: 1 aromatic?: 1 49: 4 4->5 order: 12 conj?: 1 aromatic?: 1 49: 5 5->6 order: 12 conj?: 1 aromatic?: 1 49: 6 6->7 order: 12 conj?: 1 aromatic?: 1 49: 7 7->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 1 conj?: 1 aromatic?: 0 49: 9 8->10 order: 12 conj?: 1 aromatic?: 1 49: 10 10->0 order: 12 conj?: 1 aromatic?: 1 49: 11 7->3 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: SMI: c1c(O)nc(O)c2c1[nH]cn2 49: Atoms: 49: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 3 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 12 conj?: 1 aromatic?: 1 49: 1 1->2 order: 1 conj?: 1 aromatic?: 0 49: 2 1->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 12 conj?: 1 aromatic?: 1 49: 4 4->5 order: 1 conj?: 1 aromatic?: 0 49: 5 4->6 order: 12 conj?: 1 aromatic?: 1 49: 6 6->7 order: 12 conj?: 1 aromatic?: 1 49: 7 7->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 12 conj?: 1 aromatic?: 1 49: 9 9->10 order: 12 conj?: 1 aromatic?: 1 49: 10 7->0 order: 12 conj?: 1 aromatic?: 1 49: 11 10->6 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: SMI: c12cc(O)nc(O)c1nc[nH]2 49: Atoms: 49: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 3 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 4 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 12 conj?: 1 aromatic?: 1 49: 1 1->2 order: 12 conj?: 1 aromatic?: 1 49: 2 2->3 order: 1 conj?: 1 aromatic?: 0 49: 3 2->4 order: 12 conj?: 1 aromatic?: 1 49: 4 4->5 order: 12 conj?: 1 aromatic?: 1 49: 5 5->6 order: 1 conj?: 1 aromatic?: 0 49: 6 5->7 order: 12 conj?: 1 aromatic?: 1 49: 7 7->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 12 conj?: 1 aromatic?: 1 49: 9 9->10 order: 12 conj?: 1 aromatic?: 1 49: 10 7->0 order: 12 conj?: 1 aromatic?: 1 49: 11 10->0 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: SMI: [nH]1c2cc(O)nc(O)c2nc1 49: Atoms: 49: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 10 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 12 conj?: 1 aromatic?: 1 49: 1 1->2 order: 12 conj?: 1 aromatic?: 1 49: 2 2->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 1 conj?: 1 aromatic?: 0 49: 4 3->5 order: 12 conj?: 1 aromatic?: 1 49: 5 5->6 order: 12 conj?: 1 aromatic?: 1 49: 6 6->7 order: 1 conj?: 1 aromatic?: 0 49: 7 6->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 12 conj?: 1 aromatic?: 1 49: 9 9->10 order: 12 conj?: 1 aromatic?: 1 49: 10 10->0 order: 12 conj?: 1 aromatic?: 1 49: 11 8->1 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: SMI: c1[nH]c2cc(O)nc(O)c2n1 49: Atoms: 49: 0 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 1 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 5 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 6 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 7 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 8 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 12 conj?: 1 aromatic?: 1 49: 1 1->2 order: 12 conj?: 1 aromatic?: 1 49: 2 2->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 12 conj?: 1 aromatic?: 1 49: 4 4->5 order: 1 conj?: 1 aromatic?: 0 49: 5 4->6 order: 12 conj?: 1 aromatic?: 1 49: 6 6->7 order: 12 conj?: 1 aromatic?: 1 49: 7 7->8 order: 1 conj?: 1 aromatic?: 0 49: 8 7->9 order: 12 conj?: 1 aromatic?: 1 49: 9 9->10 order: 12 conj?: 1 aromatic?: 1 49: 10 10->0 order: 12 conj?: 1 aromatic?: 1 49: 11 9->2 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: SMI: n1c[nH]c2cc(O)nc(O)c21 49: Atoms: 49: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 1 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 2 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 10 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 12 conj?: 1 aromatic?: 1 49: 1 1->2 order: 12 conj?: 1 aromatic?: 1 49: 2 2->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 12 conj?: 1 aromatic?: 1 49: 4 4->5 order: 12 conj?: 1 aromatic?: 1 49: 5 5->6 order: 1 conj?: 1 aromatic?: 0 49: 6 5->7 order: 12 conj?: 1 aromatic?: 1 49: 7 7->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 1 conj?: 1 aromatic?: 0 49: 9 8->10 order: 12 conj?: 1 aromatic?: 1 49: 10 10->0 order: 12 conj?: 1 aromatic?: 1 49: 11 10->3 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: SMI: c12c(cc(O)nc1O)[nH]cn2 49: Atoms: 49: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 2 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 4 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 6 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 7 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 12 conj?: 1 aromatic?: 1 49: 1 1->2 order: 12 conj?: 1 aromatic?: 1 49: 2 2->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 1 conj?: 1 aromatic?: 0 49: 4 3->5 order: 12 conj?: 1 aromatic?: 1 49: 5 5->6 order: 12 conj?: 1 aromatic?: 1 49: [11:34:39] done 49: [11:34:39] testing subgraph invariants 49: [11:34:39] -------------------- fp1 49: [11:34:39] -------------------- fp2 49: [11:34:39] -------------------- fp2 49: [11:34:39] done 49: [11:34:39] testing auto folding 49: [11:34:39] done 49: [11:34:39] testing basics alg2 49: [11:34:39] done 49: [11:34:39] testing subgraph invariants alg2 49: [11:34:39] -------------------- fp1 49: [11:34:39] -------------------- fp2 49: [11:34:39] -------------------- fp2 49: [11:34:39] done 49: [11:34:39] testing similarity trends 49: 6 6->7 order: 1 conj?: 1 aromatic?: 0 49: 7 1->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 12 conj?: 1 aromatic?: 1 49: 9 9->10 order: 12 conj?: 1 aromatic?: 1 49: 10 6->0 order: 12 conj?: 1 aromatic?: 1 49: 11 10->0 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: SMI: c1(O)c2c(cc(O)n1)[nH]cn2 49: Atoms: 49: 0 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 1 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 1 conj?: 1 aromatic?: 0 49: 1 0->2 order: 12 conj?: 1 aromatic?: 1 49: 2 2->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 12 conj?: 1 aromatic?: 1 49: 4 4->5 order: 12 conj?: 1 aromatic?: 1 49: 5 5->6 order: 1 conj?: 1 aromatic?: 0 49: 6 5->7 order: 12 conj?: 1 aromatic?: 1 49: 7 3->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 12 conj?: 1 aromatic?: 1 49: 9 9->10 order: 12 conj?: 1 aromatic?: 1 49: 10 7->0 order: 12 conj?: 1 aromatic?: 1 49: 11 10->2 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: SMI: Oc1c2c(cc(O)n1)[nH]cn2 49: Atoms: 49: 0 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 2 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 3 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 4 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 5 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 6 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 8 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 10 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: Bonds: 49: 0 0->1 order: 1 conj?: 1 aromatic?: 0 49: 1 1->2 order: 12 conj?: 1 aromatic?: 1 49: 2 2->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 12 conj?: 1 aromatic?: 1 49: 4 4->5 order: 12 conj?: 1 aromatic?: 1 49: 5 5->6 order: 1 conj?: 1 aromatic?: 0 49: 6 5->7 order: 12 conj?: 1 aromatic?: 1 49: 7 3->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 12 conj?: 1 aromatic?: 1 49: 9 9->10 order: 12 conj?: 1 aromatic?: 1 49: 10 7->1 order: 12 conj?: 1 aromatic?: 1 49: 11 10->2 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: SMI: n1c(O)cc2[nH]cnc2c1O 49: Atoms: 49: 0 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 1 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 2 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: 3 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 4 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 5 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 6 6 C chg: 0 deg: 2 exp: 3 imp: 1 hyb: 3 arom?: 1 chi: 0 49: 7 7 N chg: 0 deg: 2 exp: 3 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 8 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 9 6 C chg: 0 deg: 3 exp: 4 imp: 0 hyb: 3 arom?: 1 chi: 0 49: 10 8 O chg: 0 deg: 1 exp: 1 imp: 1 hyb: 3 arom?: 0 chi: 0 49: Bonds: 49: 0 0->1 order: 12 conj?: 1 aromatic?: 1 49: 1 1->2 order: 1 conj?: 1 aromatic?: 0 49: 2 1->3 order: 12 conj?: 1 aromatic?: 1 49: 3 3->4 order: 12 conj?: 1 aromatic?: 1 49: 4 4->5 order: 12 conj?: 1 aromatic?: 1 49: 5 5->6 order: 12 conj?: 1 aromatic?: 1 49: 6 6->7 order: 12 conj?: 1 aromatic?: 1 49: 7 7->8 order: 12 conj?: 1 aromatic?: 1 49: 8 8->9 order: 12 conj?: 1 aromatic?: 1 49: 9 9->10 order: 1 conj?: 1 aromatic?: 0 49: 10 9->0 order: 12 conj?: 1 aromatic?: 1 49: 11 8->4 order: 12 conj?: 1 aromatic?: 1 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: 49: 49: 49: 49: 49: 49: 49: 49: ------------------- 49: 49: [11:34:39] done 49: [11:34:39] testing basics layered fps 49: [11:34:39] done 49: [11:34:39] testing advanced layered fps 49: [11:34:39] done 49: [11:34:39] testing layered fps and queries 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Morgan Fingerprints. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Morgan Fingerprints using fromAtoms argument. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Morgan Fingerprints as bit vects. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Morgan Fingerprints with feature invariants. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test additional Morgan fingerprints options. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Atom Codes. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Atom Pairs. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Atom Pairs part 2. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Topological Torsions. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Bulk Topological Torsions. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Hashed Atom Pairs. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Hashed torsions. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Rooted Atom Pairs. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test ignoring atoms in Atom Pairs. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Rooted Topological Torsions. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test ignoring atoms in Topological Torsions. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test atom info from morgan fingerprints. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] testing RDKit fingerprint options 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] testing atom pair and torsions options 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] testing MACCS key calculation 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] testing RDKit fingerprints rooted at particular atoms 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] testing RDKit fingerprints reporting atomBits 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Atom Pairs including info about chirality. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test Topological Torsions including info about chirality. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test GitHub Issue 25: fingerprint backwards compatibility. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test GitHub Issue 151: PatternFingerprint problems 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test 3D atom pairs. 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test GitHub Issue 195: GenMACCSKeys() raises an exception with an empty molecule 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test GitHub Issue 258: Bad pattern fingerprint for query molecule 49: [11:34:39] done 49: [11:34:39] ------------------------------------- 49: [11:34:39] Test GitHub Issue 334: explicit Hs in SMILES modifies atom pair (and topological torsion) FP. 49: [11:34:39] done 49/91 Test #49: testFingerprints ................. Passed 0.23 sec test 50 Start 50: testPartialCharges 50: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/testPartialCharges 50: Test timeout computed to be: 9.99988e+06 50: [11:34:39] ------------------------------------- 50: [11:34:39] Test GitHub issue 485: Gasteiger charge calculation fails with hexavalent sulfur 50: [11:34:39] done 50/91 Test #50: testPartialCharges ............... Passed 0.02 sec test 51 Start 51: pyPartialCharges 51: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/PartialCharges/Wrap/testPartialCharges.py" 51: Test timeout computed to be: 9.99988e+06 51: ..... 51: ---------------------------------------------------------------------- 51: Ran 5 tests in 0.133s 51: 51: OK 51/91 Test #51: pyPartialCharges ................. Passed 0.24 sec test 52 Start 52: testMolTransforms 52: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/testMolTransforms 52: Test timeout computed to be: 9.99988e+06 52: *********************************************************** 52: Testing MolTransforms 52: --------------------------------- 52: test1Canonicalization 52: 52: --------------------------------- 52: testGetSetBondLength 52: 52: --------------------------------- 52: testGetSetAngle 52: 52: --------------------------------- 52: testGetSetDihedral 52: 52: *********************************************************** 52/91 Test #52: testMolTransforms ................ Passed 0.02 sec test 53 Start 53: pyMolTransforms 53: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolTransforms/Wrap/testMolTransforms.py" 53: Test timeout computed to be: 9.99988e+06 53: .... 53: ---------------------------------------------------------------------- 53: Ran 4 tests in 0.018s 53: 53: OK 53/91 Test #53: pyMolTransforms .................. Passed 0.12 sec test 54 Start 54: testMMFFForceFieldHelpers 54: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/MMFF/testMMFFForceFieldHelpers 54: Test timeout computed to be: 9.99988e+06 54: [11:34:39] ------------------------------------- 54: [11:34:39] Test MMFF atom types. 54: [11:34:40] done 54: [11:34:40] ------------------------------------- 54: [11:34:40] Testing MMFF builder tools. 54: [11:34:40] done 54: [11:34:40] ------------------------------------- 54: [11:34:40] Testing MMFF builder+minimization. 54: [11:34:40] done 54: [11:34:40] ------------------------------------- 54: [11:34:40] Testing Issue239. 54: [11:34:40] done 54: [11:34:40] ------------------------------------- 54: [11:34:40] Testing Issue242. 54: [11:34:40] E1: 169.67 54: [11:34:40] E2: 162.526 54: [11:34:40] E1: 99.6001 54: [11:34:40] E2: 99.6001 54: [11:34:40] done 54: [11:34:40] ------------------------------------- 54: [11:34:40] Testing github 308: crash during MMFF parameterization . 54: [11:34:40] ------------------------------------- 54: [11:34:40] Testing SFIssue1653802. 54: [11:34:40] done 54: [11:34:40] ------------------------------------- 54: [11:34:40] Testing SFIssue2378119. 54: [11:34:40] done 54: [11:34:40] ------------------------------------- 54: [11:34:40] Testing bulk MMFF (regression to check that things run). 54: [11:34:40] Mol:1 54: [11:34:40] Mol:2 54: [11:34:40] Mol:3 54: [11:34:40] Mol:4 54: [11:34:40] Mol:5 54: [11:34:40] Mol:6 54: [11:34:40] Mol:7 54: [11:34:40] Mol:8 54: [11:34:40] Mol:9 54: [11:34:40] Mol:10 54: [11:34:40] Mol:11 54: [11:34:40] Mol:12 54: [11:34:40] Mol:13 54: [11:34:40] Mol:14 54: [11:34:40] Mol:15 54: [11:34:40] Mol:16 54: [11:34:40] Mol:17 54: [11:34:40] Mol:18 54: [11:34:40] Mol:19 54: [11:34:40] Mol:20 54: [11:34:40] Mol:21 54: [11:34:40] Mol:22 54: [11:34:40] Mol:23 54: [11:34:40] Mol:24 54: [11:34:40] Mol:25 54: [11:34:40] Mol:26 54: [11:34:40] Mol:27 54: [11:34:40] Mol:28 54: [11:34:40] Mol:29 54: [11:34:40] Mol:30 54: [11:34:40] Mol:31 54: [11:34:40] done 54: [11:34:40] ------------------------------------- 54: [11:34:40] Test MMFF force-field parameter getters. 54: [11:34:40] ------------------------------------- 54: [11:34:40] Testing github 162: Incorrect SMILES after MMFF parameterization . 54: [11:34:40] done 54: [11:34:40] ------------------------------------- 54: [11:34:40] Testing github 224: crash during MMFF parameterization . 54: [11:34:40] done 54/91 Test #54: testMMFFForceFieldHelpers ........ Passed 0.55 sec test 55 Start 55: testUFFForceFieldHelpers 55: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/UFF/testUFFForceFieldHelpers 55: Test timeout computed to be: 9.99988e+06 55: [11:34:40] ------------------------------------- 55: [11:34:40] Test UFF atom labels. 55: [11:34:40] UFFTYPER: Warning: hybridization set to SP3 for atom 5 55: [11:34:40] done 55: [11:34:40] ------------------------------------- 55: [11:34:40] Test UFF atom typer. 55: [11:34:40] UFFTYPER: Warning: hybridization set to SP3 for atom 0 55: [11:34:40] UFFTYPER: Warning: hybridization set to SP3 for atom 0 55: [11:34:40] UFFTYPER: Warning: hybridization set to SP3 for atom 0 55: [11:34:40] UFFTYPER: Warning: hybridization set to SP3 for atom 1 55: [11:34:40] done 55: [11:34:40] ------------------------------------- 55: [11:34:40] Testing UFF builder tools. 55: [11:34:40] done 55: [11:34:40] ------------------------------------- 55: [11:34:40] Testing UFF builder+minimization. 55: [11:34:40] done 55: [11:34:40] ------------------------------------- 55: [11:34:40] Testing bulk UFF (regression to check that things run). 55: [11:34:40] Mol:1 55: [11:34:40] Mol:2 55: [11:34:40] Mol:3 55: [11:34:40] Mol:4 55: [11:34:40] Mol:5 55: [11:34:40] Mol:6 55: [11:34:40] Mol:7 55: [11:34:40] Mol:8 55: [11:34:40] Mol:9 55: [11:34:40] Mol:10 55: [11:34:40] Mol:11 55: [11:34:41] Mol:12 55: [11:34:41] Mol:13 55: [11:34:41] Mol:14 55: [11:34:41] Mol:15 55: [11:34:41] Mol:16 55: [11:34:41] Mol:17 55: [11:34:41] Mol:18 55: [11:34:41] Mol:19 55: [11:34:41] Mol:20 55: [11:34:41] Mol:21 55: [11:34:41] Mol:22 55: [11:34:41] Mol:23 55: [11:34:41] Mol:24 55: [11:34:41] Mol:25 55: [11:34:41] Mol:26 55: [11:34:41] Mol:27 55: [11:34:41] Mol:28 55: [11:34:41] Mol:29 55: [11:34:41] Mol:30 55: [11:34:41] Mol:31 55: [11:34:41] done 55: [11:34:41] ------------------------------------- 55: [11:34:41] Testing UFF special cases. 55: [11:34:41] UFFTYPER: Warning: hybridization set to SP3 for atom 0 55: [11:34:41] UFFTYPER: Unrecognized charge state for atom: 0 55: [11:34:41] done 55: [11:34:41] ------------------------------------- 55: [11:34:41] Testing Issue239. 55: [11:34:41] done 55: [11:34:41] ------------------------------------- 55: [11:34:41] Testing SFIssue1653802. 55: [11:34:41] done 55: [11:34:41] ------------------------------------- 55: [11:34:41] Testing SFIssue2378119. 55: [11:34:41] done 55: [11:34:41] ------------------------------------- 55: [11:34:41] Test UFF force-field parameter getters. 55: [11:34:41] ------------------------------------- 55: [11:34:41] Testing handling missing parameters. 55: [11:34:41] UFFTYPER: Unrecognized hybridization for atom: 0 55: [11:34:41] UFFTYPER: Unrecognized atom type: Cu (0) 55: [11:34:41] UFFTYPER: Unrecognized hybridization for atom: 0 55: [11:34:41] UFFTYPER: Unrecognized atom type: Cu (0) 55: [11:34:41] done 55: [11:34:41] ------------------------------------- 55: [11:34:41] Testing SFIssue3009337. 55: [11:34:41] UFFTYPER: Warning: hybridization set to SP3 for atom 2 55: [11:34:41] UFFTYPER: Warning: hybridization set to SP3 for atom 2 55: [11:34:41] done 55: [11:34:41] ------------------------------------- 55: [11:34:41] Testing GitHubIssue62. 55: [11:34:41] beta-lactam 38.6865 55: [11:34:41] cyclopropanone 174.698 55: [11:34:41] aziridine 337.986 55: [11:34:41] aziridinone 115.248 55: [11:34:41] isobutene 2.48217 55: [11:34:41] acetone 1.91788 55: [11:34:41] cyclopentanone 10.1648 55: [11:34:41] cyclopropene 98.4685 55: [11:34:41] cyclobutene 39.0782 55: [11:34:41] cyclopropane 267.236 55: [11:34:41] gamma-lactam 15.7471 55: [11:34:41] trans-2,3-diphenylcyclopropan-1-one 202.121 55: [11:34:41] cis-2,3-diphenylcyclopropan-1-one 205.539 55: [11:34:41] 2,3-diphenylcyclopropa-2-en-1-one 20.0443 55: [11:34:41] cyclopropylidencyclobutane 218.986 55: [11:34:41] diphenylmethylidencyclobutane 79.6273 55: [11:34:41] done 55/91 Test #55: testUFFForceFieldHelpers ......... Passed 1.08 sec test 56 Start 56: pyForceFieldHelpers 56: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ForceFieldHelpers/Wrap/testHelpers.py" 56: Test timeout computed to be: 9.99988e+06 56: ....[11:34:41] UFFTYPER: Unrecognized hybridization for atom: 0 56: [11:34:41] UFFTYPER: Unrecognized atom type: Cu (0) 56: ...... 56: ---------------------------------------------------------------------- 56: Ran 10 tests in 0.024s 56: 56: OK 56/91 Test #56: pyForceFieldHelpers .............. Passed 0.11 sec test 57 Start 57: testDistGeomHelpers 57: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/testDistGeomHelpers 57: Test timeout computed to be: 9.99988e+06 57: [11:34:41] ******************************************************** 57: [11:34:41] Testing DistGeomHelpers 57: [11:34:41] --------------------------------- 57: [11:34:41] test2 57: 57: go 57: ------------------------------------- 57: 57: [11:34:41] --------------------------------- 57: [11:34:41] test3 57: 57: [11:34:41] --------------------------------- 57: [11:34:41] test4 57: 57: [11:34:41] --------------------------------- 57: [11:34:41] test5 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test6 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test15Dists 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test Issue 215 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] testMultipleConfs 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] testIssue227 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] testIssue236 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] testOrdering 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] testIssue244 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] testIssue251 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] testIssue276 57: [11:34:42] --------------------------------- 57: [11:34:42] testIssue284 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] testIssue285 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] testIssue355 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] testRandomCoords 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test sf.net issue 1989539 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test sf.net issue 2091864 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test constrained embedding 57: 57: [11:34:42] ssd: 0.051827 57: [11:34:42] ssd: 0.0583638 57: [11:34:42] --------------------------------- 57: [11:34:42] test sf.net issue 2091974 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test sf.net issue 2835784 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test sf.net issue 3019283 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test sf.net issue 3238580 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test sf.net issue 3483968 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test github issue 55 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test1 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test multi-threading 57: 57: [11:34:42] --------------------------------- 57: [11:34:42] test github issue 256: handling of zero-atom molecules 57: 57: [11:34:42] ******************************************************* 57/91 Test #57: testDistGeomHelpers .............. Passed 0.61 sec test 58 Start 58: pyDistGeom 58: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/DistGeomHelpers/Wrap/testDistGeom.py" 58: Test timeout computed to be: 9.99988e+06 58: ......... 58: ---------------------------------------------------------------------- 58: Ran 9 tests in 4.082s 58: 58: OK 58/91 Test #58: pyDistGeom ....................... Passed 4.18 sec test 59 Start 59: testMolAlign 59: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/testMolAlign 59: Test timeout computed to be: 9.99988e+06 59: *********************************************************** 59: Testing MolAlign 59: --------------------------------- 59: test1MolAlign 59: 59: --------------------------------- 59: test2AtomMap 59: 59: --------------------------------- 59: test3Weights 59: 59: --------------------------------- 59: testIssue241 59: 59: --------------------------------- 59: testMMFFO3A 59: 59: --------------------------------- 59: testMMFFO3A with pre-computed dmat and MolHistogram 59: 59: --------------------------------- 59: testMMFFO3A with constraints 59: 59: --------------------------------- 59: testMMFFO3A with variable weight constraints followed by local-only optimization 59: 59: --------------------------------- 59: testCrippenO3A 59: 59: --------------------------------- 59: testCrippenO3A with pre-computed dmat and MolHistogram 59: 59: --------------------------------- 59: testCrippenO3A with constraints 59: 59: --------------------------------- 59: testCrippenO3A with variable weight constraints followed by local-only optimization 59: 59: --------------------------------- 59: test getO3AForProbeConfs 59: 59: *********************************************************** 59: [11:34:51] done 59/91 Test #59: testMolAlign ..................... Passed 5.33 sec test 60 Start 60: pyMolAlign 60: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolAlign/Wrap/testMolAlign.py" 60: Test timeout computed to be: 9.99988e+06 60: ............... 60: ---------------------------------------------------------------------- 60: Ran 15 tests in 6.356s 60: 60: OK 60: Testing MolAlign Wrappers 60/91 Test #60: pyMolAlign ....................... Passed 6.45 sec test 61 Start 61: testFeatures 61: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/testFeatures 61: Test timeout computed to be: 9.99988e+06 61: [11:34:58] ------------------------------------- 61: [11:34:58] AtomType parser testing. 61: [11:34:58] SMARTS Parse Error: syntax error for input: [$([!$([NH0]);N,O,$([S]),$([N,O)])] 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] FeatureDefinition parser testing. 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] Test pulling feat defs from a string. 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] FeatureDef functionality testing. 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] FeatureFactory testing. 61: [11:34:58] 1 61: [11:34:58] 2 61: [11:34:58] 3 61: [11:34:58] 4 61: [11:34:58] 5 61: [11:34:58] 6 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] Feature Location testing. 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] Test building a FeatureFactory from a file 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] Testing Issue 224. 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] Testing Issue 225. 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] Test Issue346 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] Test Issue347 61: [11:34:58] done 61: [11:34:58] ------------------------------------- 61: [11:34:58] Testing Issue 348. 61: [11:34:58] SMARTS Parse Error: syntax error for input: [C[C] 61: [11:34:58] ------------------------------------- 61: [11:34:58] Testing Nested AtomType definitions. 61: [$([$([$([C;!$(C=[O,N,P,S]);!$(C#N)]),c]);R])] 61: [11:34:58] ------------------------------------- 61: [11:34:58] Testing Github Issue #252: crash when calling getPos() with no conformer. 61: [11:34:58] expect a precondition failure message below 61: [11:34:58] 61: 61: **** 61: Pre-condition Violation 61: molecule has no conformers 61: Violation occurred on line 37 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp 61: Failed Expression: dp_mol->getNumConformers() 61: **** 61: 61: [11:34:58] Done 61/91 Test #61: testFeatures ..................... Passed 0.02 sec test 62 Start 62: pyChemicalFeatures 62: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/Wrap/testChemicalFeatures.py" 62: Test timeout computed to be: 9.99988e+06 62: ....[11:34:58] SMARTS Parse Error: syntax error for input: [N,O;!HQ] 62: ... 62: ---------------------------------------------------------------------- 62: Ran 7 tests in 0.010s 62: 62: OK 62/91 Test #62: pyChemicalFeatures ............... Passed 0.10 sec test 63 Start 63: testShapeHelpers 63: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/testShapeHelpers 63: Test timeout computed to be: 9.99988e+06 63: *********************************************************** 63: Testing ShapeHelpers 63: --------------------------------- 63: test1Encode 63: 63: --------------------------------- 63: test2Compare 63: 63: *********************************************************** 63/91 Test #63: testShapeHelpers ................. Passed 0.02 sec test 64 Start 64: pyShapeHelpers 64: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ShapeHelpers/Wrap/testShapeHelpers.py" 64: Test timeout computed to be: 9.99988e+06 64: . 64: ---------------------------------------------------------------------- 64: Ran 1 test in 0.024s 64: 64: OK 64: Testing Shape Helpers wrapper 64/91 Test #64: pyShapeHelpers ................... Passed 0.11 sec test 65 Start 65: testMolCatalog 65: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/testMolCatalog 65: Test timeout computed to be: 9.99988e+06 65: [11:34:58] >>------------- Test 1 65: [11:34:58] <<-------------- Done 65/91 Test #65: testMolCatalog ................... Passed 0.01 sec test 66 Start 66: pyMolCatalog 66: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolCatalog/Wrap/rough_test.py" 66: Test timeout computed to be: 9.99988e+06 66: . 66: ---------------------------------------------------------------------- 66: Ran 1 test in 0.007s 66: 66: OK 66/91 Test #66: pyMolCatalog ..................... Passed 0.10 sec test 67 Start 67: moldraw2DTest1 67: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/moldraw2DTest1 67: Test timeout computed to be: 9.99988e+06 67: ----------------- Test 1 67: Done 67: ----------------- Test 3 67: Done 67: ----------------- Test 4 67: Done 67: ----------------- Test 5 67: Done 67/91 Test #67: moldraw2DTest1 ................... Passed 0.02 sec test 68 Start 68: pyMolDraw2D 68: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolDraw2D/Wrap/testMolDraw2D.py" 68: Test timeout computed to be: 9.99988e+06 68: .. 68: ---------------------------------------------------------------------- 68: Ran 2 tests in 0.001s 68: 68: OK 68/91 Test #68: pyMolDraw2D ...................... Passed 0.11 sec test 69 Start 69: testFMCS 69: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/testFMCS 69: Test timeout computed to be: 9.99988e+06 69: [11:34:58] ******************************************************* 69: [11:34:58] FMCS Unit Test 69: [11:34:58] 69: ------------------------------------- 69: [11:34:58] Testing github #481 : order dependence in FMCS with chirality 69: [11:34:58] done 69: [11:34:58] 69: ------------------------------------- 69: [11:34:58] Testing FMCS testChirality 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = C(F)C useChirality = 0 69: res sub = 1 size=3 69: MCS: [#9]-[#6]-[#6] 3 atoms, 2 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = C(F)C useChirality = 1 69: res sub = 1 size=3 69: MCS: [#9]-[#6]-[#6] 3 atoms, 2 bonds 69: [11:34:58] ------------------------------------- 69: test target = CC[C@H](F)Cl query = CCC useChirality = 0 69: res sub = 1 size=3 69: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 69: [11:34:58] ------------------------------------- 69: test target = CC[C@H](F)Cl query = CCC useChirality = 1 69: res sub = 1 size=3 69: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 69: [11:34:58] ------------------------------------- 69: test target = CCC(F)Cl query = CC useChirality = 0 69: res sub = 1 size=2 69: MCS: [#6]-[#6] 2 atoms, 1 bonds 69: [11:34:58] ------------------------------------- 69: test target = CCC(F)Cl query = CC useChirality = 1 69: res sub = 1 size=2 69: MCS: [#6]-[#6] 2 atoms, 1 bonds 69: [11:34:58] ------------------------------------- 69: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 0 69: res sub = 1 size=4 69: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = C[C@H](F)CCl query = C[C@H](F)C useChirality = 1 69: res sub = 1 size=4 69: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 0 69: res sub = 1 size=4 69: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = C[C@H](F)CCl query = C[C@@H](F)C useChirality = 1 69: res sub = 1 size=4 69: MCS: [#6]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = CC(F)C useChirality = 0 69: res sub = 0 size=0 69: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = CC(F)C useChirality = 1 69: res sub = 0 size=0 69: MCS: [#6]-[#6]-[#9] 3 atoms, 2 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = OC(F)C useChirality = 0 69: res sub = 1 size=4 69: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = OC(F)C useChirality = 1 69: res sub = 1 size=4 69: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 0 69: res sub = 1 size=4 69: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = O[C@H](F)C useChirality = 1 69: res sub = 1 size=4 69: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 0 69: res sub = 1 size=4 69: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = O[C@@H](F)C useChirality = 1 69: res sub = 0 size=0 69: MCS: 0 atoms, 0 bonds 69: [11:34:58] ------------------------------------- 69: test target = OC(F)CCl query = OC(F)C useChirality = 0 69: res sub = 1 size=4 69: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = OC(F)CCl query = OC(F)C useChirality = 1 69: res sub = 1 size=4 69: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = OC(F)CCl query = O[C@H](F)C useChirality = 0 69: res sub = 1 size=4 69: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = OC(F)CCl query = O[C@H](F)C useChirality = 1 69: res sub = 0 size=0 69: MCS: 0 atoms, 0 bonds 69: [11:34:58] ------------------------------------- 69: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 0 69: res sub = 1 size=4 69: MCS: [#8]-[#6](-[#9])-[#6] 4 atoms, 3 bonds 69: [11:34:58] ------------------------------------- 69: test target = OC(F)CCl query = O[C@@H](F)C useChirality = 1 69: res sub = 0 size=0 69: MCS: 0 atoms, 0 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 0 69: res sub = 1 size=3 69: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = O[C@H]C useChirality = 1 69: res sub = 0 size=0 69: MCS: 0 atoms, 0 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 0 69: res sub = 1 size=3 69: MCS: [#8]-[#6]-[#6] 3 atoms, 2 bonds 69: [11:34:58] ------------------------------------- 69: test target = O[C@H](F)CCl query = O[C@@H]C useChirality = 1 69: res sub = 0 size=0 69: MCS: 0 atoms, 0 bonds 69: 69: 0. <<<<<<<<< actual MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds >>>>>>> 69: [11:34:58] ------------------------------------- 69: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 0 69: res sub = 1 size=3 69: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 69: [11:34:58] ------------------------------------- 69: test target = CC[C@H](F)Cl query = CC[C@H] useChirality = 1 69: res sub = 0 size=0 69: MCS: [#6]-[#6] 2 atoms, 1 bonds 69: done 69: [11:34:58] ------------------------------------- 69: [11:34:58] Testing FMCS testJSONParameters 69: [11:34:58] done 69: [11:34:58] ------------------------------------- 69: [11:34:58] FMCS test1Basics() 69: MCS: [#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 7 atoms, 7 bonds 69: Time elapsed 0.000 seconds 69: [11:34:58] done 69: [11:34:58] ------------------------------------- 69: [11:34:58] Testing FMCS test32 69: 69: test32() 69: MCS: [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6](-[#7]-[#6]1:[#6]:[#6](-[#16](-[#7]2-[#6]-[#6]-[#8]-[#6]-[#6]-2)(=[#8])=[#8]):[#6]:[#6]:[#6]:1-[#7](-[#6]-[#6])-[#6]-[#6])=[#8] 31 atoms, 33 bonds 69: Time elapsed 0.065 seconds 69: [11:34:58] done 69: [11:34:58] ------------------------------------- 69: [11:34:58] Testing FMCS test190 69: 69: test190() 69: MCS: [#6]1:[#6]:[#6]2:[#8]:[#6](-[#6]3:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]):[#6]:[#6]:[#6]:3):[#7]:[#6]:2:[#6]:[#6]:1 19 atoms, 21 bonds 69: Time elapsed 0.013 seconds 69: [11:34:58] done 69: [11:34:58] ------------------------------------- 69: [11:34:58] Testing FMCS test3 69: 69: test3() 69: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6] 14 atoms, 14 bonds 69: Time elapsed 0.016 seconds 69: [11:34:58] done 69: [11:34:58] ------------------------------------- 69: [11:34:58] Testing FMCS testSimpleFast 69: 69: testSimpleFast() 69: MCS: [#6]-[#8]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] 24 atoms, 26 bonds 69: Time elapsed 0.120 seconds 69: [11:34:59] done 69: [11:34:59] ------------------------------------- 69: [11:34:59] Testing FMCS testSimple 69: 69: testSimple() 69: MCS: [#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6])-[#6](-[#7]-[#6])=[#8] 15 atoms, 14 bonds 69: Time elapsed 0.180 seconds 69: [11:34:59] done 69: [11:34:59] ------------------------------------- 69: [11:34:59] Testing FMCS testSegFault 69: 69: testSegFault() 69: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 6 atoms, 6 bonds 69: Time elapsed 0.004 seconds 69: [11:34:59] done 69: [11:34:59] ------------------------------------- 69: [11:34:59] Testing FMCS testThreshold 69: 69: testThreshold() 69: MCS: [#6]-[#6]-[#6] 3 atoms, 2 bonds 69: Time elapsed 0.000 seconds 69: [11:34:59] done 69: [11:34:59] ------------------------------------- 69: [11:34:59] Testing FMCS testRing1 69: 69: testRing1() 69: MCS: [#6]1:[#6]:[#7]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#8]-[#6](-[#6])-[#6] 12 atoms, 12 bonds 69: Time elapsed 0.003 seconds 69: [11:34:59] done 69: [11:34:59] ------------------------------------- 69: [11:34:59] Testing FMCS testAtomCompareIsotopes 69: 69: testAtomCompareIsotopes() 69: MCS: [0*]-[0*]-[13*] 3 atoms, 2 bonds 69: Time elapsed 0.000 seconds 69: [11:34:59] done 69: [11:34:59] ------------------------------------- 69: [11:34:59] Testing FMCS testAtomCompareAnyAtom 69: 69: testAtomCompareAnyAtom() 69: MCS: [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 69: Time elapsed 0.000 seconds 69: [11:34:59] done 69: [11:34:59] ------------------------------------- 69: [11:34:59] Testing FMCS testAtomCompareAnyAtomBond 69: 69: testAtomCompareAnyAtom() 69: MCS: [#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1=,-[#6,#7,#8,#9,#17] 7 atoms, 7 bonds 69: Time elapsed 0.000 seconds 69: [11:34:59] done 69: [11:34:59] ------------------------------------- 69: [11:34:59] Testing FMCS test18 69: 69: test18() 69: Query +MAP [CH3:0][c:1]1[n:2][c:3]([CH2:4][N:5]([CH2:14][CH2:15][CH2:16][CH2:17][NH2:18])[CH:6]([CH3:7])[c:8]2[cH:13][cH:12][cH:11][cH:10][n:9]2)[cH:19][cH:20][cH:21]1 69: MCS: [#6](:[#7]:[#6]-[#6]-[#7](-[#6](-[#6])-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6] 21 atoms, 21 bonds 69: Time elapsed 0.009 seconds 69: [11:34:59] done 69: [11:34:59] ------------------------------------- 69: [11:34:59] Testing FMCS test504 69: 69: test504() 69: Query +MAP [CH2:0]([CH2:1][CH2:2][NH:3][C:4](=[O:16])[CH:5]1[CH2:6][CH:7]1[c:8]1[c:15][cH:14][c:12]([Cl:13])[c:10]([Cl:11])[c:9]1)[CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([NH:23][C:24]([NH:25][c:26]2[cH:27][cH:28][c:29]([Cl:30])[cH:31][cH:32]2)=[O:33])[CH2:34]1 69: MCS: [#6](-[#6]-[#6]-[#7]-[#6](-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#6](-[#17]):[#6](:[#6]:[#6]:1)-[#17])=[#8])-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6] 34 atoms, 36 bonds 69: Time elapsed 0.181 seconds 69: [11:34:59] done 69: TOTAL Time elapsed 0.63 seconds 69: [11:34:59] ******************************************************* 69/91 Test #69: testFMCS ......................... Passed 0.65 sec test 70 Start 70: pyFMCS 70: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Wrap/testFMCS.py" 70: Test timeout computed to be: 9.99988e+06 70: ...... 70: ---------------------------------------------------------------------- 70: Ran 6 tests in 1.001s 70: 70: OK 70/91 Test #70: pyFMCS ........................... Passed 1.22 sec test 71 Start 71: FMCStest 71: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/FMCS/Test/FMCStest 71: Test timeout computed to be: 9.99988e+06 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_15113.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_16613.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_30745.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_30861.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_31495.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_34869.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_36158.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_36559.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_37434.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_39147.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_43754.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_44011.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_44158.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_48076.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_48961.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_49648.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_49703.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_51128.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_51343.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_51842.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_54554.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_100_55749.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_17256.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20244.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_20245.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30149.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_30499.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_36186.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_39262.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_43966.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_45279.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_48029.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49064.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_49801.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_50681.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_54039.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58265.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58358.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_58866.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10188_60810.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21358.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_21597.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30111.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_30349.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31746.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_31822.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_35220.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37603.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_37964.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_39508.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42164.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_42577.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_44072.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_45522.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46700.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46719.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_46744.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_48517.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_49087.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_50034.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_51475.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53483.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_53506.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_54598.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55614.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_55737.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57090.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57705.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_57785.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_58463.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_58700.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61003.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10193_61349.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10260_38526.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10260_50778.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10260_52179.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10260_54285.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_30224.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_31222.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37349.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37369.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37465.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_37541.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_38371.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44314.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_44578.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_45765.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_46281.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_47928.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_50624.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51341.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51662.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_51767.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53081.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53396.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_53407.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_58823.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_59190.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_60672.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10280_61176.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10434_20905.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30074.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30175.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10434_30423.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10434_31555.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10434_34878.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10434_35926.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10434_42168.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_20859.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_30060.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_30061.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_30606.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_30866.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_31249.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_34921.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_35188.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_36636.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_37466.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_39202.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_43952.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_49345.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_49591.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_49854.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_51416.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_53537.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_58879.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_60679.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_107_61269.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_20600.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_20859.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_30060.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_30606.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_30866.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_31558.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_35188.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_37466.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_43875.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_48911.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_49591.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_49854.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_57887.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_60679.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_108_6857.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_15478.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_20853.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30840.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30862.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30918.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_30994.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31014.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31508.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_31623.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35003.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35004.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35281.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_35957.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36520.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_36641.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_38586.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_44431.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_45093.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_51302.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5247.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_52937.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_57198.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_5739.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_10980_6535.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20205.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_20986.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_30091.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34698.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_34705.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37038.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37272.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_37447.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38909.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_38953.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_39472.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_45825.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_47179.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49028.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_49860.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_51984.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53395.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_53826.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54121.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_54530.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_55738.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_57725.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11140_58590.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11365_20432.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11365_30331.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11365_37956.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11365_48114.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11365_58566.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34731.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_34818.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37318.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37339.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_37564.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39504.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_39561.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46082.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_46089.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47349.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_47757.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_51593.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_54754.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58262.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11489_58958.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_16827.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_20503.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_20724.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_30254.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_30321.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_30572.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_31116.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_31281.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_31443.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_34747.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_34920.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_35040.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_36623.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_37136.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_37208.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_38298.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_38554.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_39088.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_39543.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_44049.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_44562.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_45180.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_45867.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_46087.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_46829.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_47546.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_48395.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_50461.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_50765.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_51669.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_52381.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_57231.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_114_58246.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_30999.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31021.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_31650.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_35011.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_37014.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_44598.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_48446.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50614.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50615.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_50618.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11534_51950.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11575_31616.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11575_38381.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11575_45757.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11575_46816.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11575_50701.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11575_54049.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11575_57890.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11575_61045.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11631_30194.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11631_31421.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11631_35538.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11631_55727.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11631_60676.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11631_61130.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_11631_6444.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_15623.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_20096.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_21591.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_30184.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_30380.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_30745.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_30861.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_31619.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_34869.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_35284.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_36158.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_36915.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_37434.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_37541.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_37677.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_38837.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_39530.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_43793.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_44158.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_44164.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_44579.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_44593.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_44692.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_44914.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_45878.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_48050.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_48706.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_48944.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_48961.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_49880.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_50055.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_50512.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_51064.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_53537.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_55749.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_58879.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_121_6876.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12209_44664.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12209_46451.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12209_50640.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12209_56102.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12209_58015.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59089.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12209_59092.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12209_61340.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12252_31458.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12252_38481.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12252_42104.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49475.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12252_49933.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12252_50558.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_126_37249.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_126_39117.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_126_48227.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_126_48229.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_126_53969.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_126_54262.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_126_55353.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_126_61212.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20250.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20506.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20626.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_20689.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_21358.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30158.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_30349.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_34843.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_35220.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36318.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_36800.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_39349.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45385.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_45676.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46700.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_46719.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_48517.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_52690.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_53483.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_55435.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_56102.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58015.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58375.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_12952_58700.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_13001_16724.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_13001_2710.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_13001_30128.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_13001_31250.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_13001_35519.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_13001_36905.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_13001_46788.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_13001_4737.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_13001_55736.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_13001_57473.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_16146.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_30313.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_30539.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_30653.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_30988.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_31179.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_31339.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_3525.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_36886.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_37020.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_38128.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_43952.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_45210.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_45899.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_47889.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_51800.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_53158.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_5330.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_55648.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_56096.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_57287.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_57399.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_57606.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_58470.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_130_60894.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_15010.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_20304.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_20542.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_20788.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_21358.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_30349.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_31103.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_31764.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_31822.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_35220.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_37964.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_42164.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_44072.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_45522.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_46719.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_46744.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_48416.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_49740.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_50034.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_50640.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_53483.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_53506.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_53814.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_55435.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_56074.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_56107.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_57090.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_57705.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_57785.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_57861.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_58583.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_59089.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_15_59092.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_20600.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_30764.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_34876.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_37427.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_38266.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_45283.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_46990.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_47123.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_47900.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_48050.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_48062.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_48076.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_50718.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_50972.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_51372.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_51830.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_53049.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_53505.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_54021.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_54565.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_54570.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_57666.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_57890.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_58072.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_58634.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_58643.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_59080.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_59202.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_59346.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_60379.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_60385.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_165_61098.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_17045_31154.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_17045_35648.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_17045_48914.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_17045_51975.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_17045_52435.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_17045_55790.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_17045_58958.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_17045_61146.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20191.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20562.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20606.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_20607.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30003.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30402.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30726.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_30924.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31457.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31460.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31600.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31620.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31640.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31782.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31797.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31829.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_31856.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34690.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34691.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_34694.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_35712.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37497.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_37539.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48070.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48219.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48824.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_48902.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_52867.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_53534.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_54570.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_58727.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60159.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_19905_60661.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_30037.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_34734.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_35365.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_35787.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_36793.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_37845.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_38328.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_39374.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_43936.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_44059.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_44405.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_44424.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_45166.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_46158.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_46425.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_47187.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_48435.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_48817.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_48849.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_48957.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_48965.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_49519.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_49921.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_50392.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_50972.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_52405.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_52442.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_53169.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_54640.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_57207.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_58537.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_58920.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_259_60358.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_25_16077.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_25_34943.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_25_36391.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_25_36574.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_25_52906.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_25_54642.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_16385.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_20333.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_20774.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_35825.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_37637.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_47741.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_48567.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_48841.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_49589.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_50564.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_51201.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_53150.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_55747.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_43_58276.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_20813.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_2331.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_2391.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_30374.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_30512.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_30796.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_31058.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_31450.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_36609.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_36636.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_38266.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_43800.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_47621.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_49433.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_49550.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_49865.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_51005.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_52373.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_53878.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_54554.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_57508.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_57618.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_59484.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_51_6563.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_61_16845.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_61_37106.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_61_37272.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_61_47947.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_61_50754.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_61_55800.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_61_57380.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_65_35328.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_65_36137.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_65_38826.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_65_44596.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_65_51275.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_65_55671.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_20155.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_30616.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_30653.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_30988.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_31339.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_31527.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_31631.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_36047.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_36568.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_36636.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_37020.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_38128.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_43952.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_45210.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_47889.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_51064.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_51800.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_5330.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_57508.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_58470.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_72_60894.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_20730.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_20753.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_30097.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_30663.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_35365.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_35375.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_35918.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_36010.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_36780.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_36793.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_37845.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_39110.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_39546.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_43936.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_44405.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_44424.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_44683.txt 71: 71: fopen testChEMBL_Txt(): No such file or directory 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_45166.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_46648.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_46986.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_47070.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_47187.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_48435.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_48817.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_49138.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_49460.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_49519.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_49532.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_49829.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_50608.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_54640.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_87_61082.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_90_15727.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_90_20155.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_90_30407.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_90_3525.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_93_12377.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_93_1308.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_93_34759.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_93_35447.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_93_42214.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_93_45877.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_93_47082.txt 71: 71: testChEMBL_Txt() chembl_II_sets/Target_no_93_57082.txt 71: 71: testFileSDF_RandomSet(): benchmark/chembl13-10000-random-pairs.sdf 71: ERROR: RDKit could not load input file 71: 71: testFileSDF_RandomSet(): benchmark/chembl13_pairs.smi 71: ERROR: RDKit could not load input file 71: 71: testFileSDF_RandomSet(): benchmark/chembl13_knearest_2.smi 71: ERROR: RDKit could not load input file 71: 71: testFileSDF_RandomSet(): benchmark/chembl13_knearest_10.smi 71: ERROR: RDKit could not load input file 71: 71: testFileSDF_RandomSet(): benchmark/chembl13_knearest_100.smi 71: ERROR: RDKit could not load input file 71: 71: testFileSDF_RandomSet(): benchmark/chembl13_threshold_80.smi 71: ERROR: RDKit could not load input file 71: 71: testFileSDF_RandomSet(): benchmark/chembl13_threshold_90.smi 71: ERROR: RDKit could not load input file 71/91 Test #71: FMCStest ......................... Passed 0.04 sec test 72 Start 72: testMolHash 72: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash/testMolHash 72: Test timeout computed to be: 9.99988e+06 72: Hash size = 32 bits. 72: [11:35:00] ******************************************************* 72: [11:35:00] ------------------------------------- 72: [11:35:00] Testing MolHash test1 DEFAULT ARGUMENTS 72: Hash size = 32 bits. 72: 3812942398 = PuJE4w 72: 3812942398 = PuJE4w 72: 3812942398 = PuJE4w 72: 3812942398 = PuJE4w 72: 72: 338198123 = a34oFA 72: 338198123 = a34oFA 72: 338198123 = a34oFA 72: 338198123 = a34oFA 72: 72: 402815520 = IHoCGA 72: 402815520 = IHoCGA 72: 402815520 = IHoCGA 72: 402815520 = IHoCGA 72: 72: 1223038541 = TRbmSA 72: 1223038541 = TRbmSA 72: 1223038541 = TRbmSA 72: 1223038541 = TRbmSA 72: 72: 2928101980 = XEqHrg 72: 2928101980 = XEqHrg 72: 2928101980 = XEqHrg 72: 2928101980 = XEqHrg 72: 72: 2107878959 = L66jfQ 72: 2107878959 = L66jfQ 72: 2107878959 = L66jfQ 72: 2107878959 = L66jfQ 72: 72: 1627884062 = HooHYQ 72: 1627884062 = HooHYQ 72: 1627884062 = HooHYQ 72: 1627884062 = HooHYQ 72: 72: 4258023147 = 60bM/Q 72: 4258023147 = 60bM/Q 72: 4258023147 = 60bM/Q 72: 4258023147 = 60bM/Q 72: 72: 2705547614 = XmFDoQ 72: 2705547614 = XmFDoQ 72: 2705547614 = XmFDoQ 72: 2705547614 = XmFDoQ 72: 72: 140724322 = YkhjCA 72: 140724322 = YkhjCA 72: 140724322 = YkhjCA 72: 140724322 = YkhjCA 72: 72: 3721159581 = nWPM3Q 72: 3721159581 = nWPM3Q 72: 3721159581 = nWPM3Q 72: 3721159581 = nWPM3Q 72: 72: 3248152566 = 9t+awQ 72: 3248152566 = 9t+awQ 72: 3248152566 = 9t+awQ 72: 3248152566 = 9t+awQ 72: 72: 1937191806 = fjN3cw 72: 1937191806 = fjN3cw 72: 1937191806 = fjN3cw 72: 1937191806 = fjN3cw 72: 72: 3096446839 = dweQuA 72: 3096446839 = dweQuA 72: 3096446839 = dweQuA 72: 3096446839 = dweQuA 72: 72: 2679006896 = sGaunw 72: 2679006896 = sGaunw 72: 2679006896 = sGaunw 72: 2679006896 = sGaunw 72: 72: 1803158519 = 9wN6aw 72: 1803158519 = 9wN6aw 72: 1803158519 = 9wN6aw 72: 1803158519 = 9wN6aw 72: 72: [11:35:00] done 72: [11:35:00] ******************************************************* 72: [11:35:00] ------------------------------------- 72: [11:35:00] Testing MolHash test2 CHIRALITY == ATOM 72: Hash size = 32 bits. 72: 1803875862 = FvaEaw | C[C@H](F)Cl 72: 1803875862 = FvaEaw | C[C@@H](F)Cl 72: 1803875862 = FvaEaw | CC(F)Cl 72: 1803875862 = FvaEaw | [13CH3]C(F)Cl 72: 1803875862 = FvaEaw | C[C@H](Cl)F 72: 1803875862 = FvaEaw | C[C@@H](Cl)F 72: [11:35:00] done 72: [11:35:00] ******************************************************* 72: [11:35:00] ------------------------------------- 72: [11:35:00] Testing MolHash test21 CHIRALITY == BOND 72: Hash size = 32 bits. 72: 2682339084 = DD/hnw | C/C=C/C 72: 2682339084 = DD/hnw | CC=CC 72: 2682339084 = DD/hnw | C/C=C\C 72: [11:35:00] done 72: [11:35:00] ******************************************************* 72: [11:35:00] ------------------------------------- 72: [11:35:00] Testing MolHash test3 CHIRALITY DIFF 72: 396390390 = 9m+gFw C[C@H](F)Cl 72: 165703670 = 9m/gCQ C[C@@H](F)Cl 72: 627077110 = 9m9gJQ CC(F)Cl 72: 1767927798 = 9m9gaQ [13CH3]C(F)Cl 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: 487785244 = HAMTHQ C[C@H]1CC[C@H](C)CC1 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: 1886585628 = HANzcA C[C@H]1CC[C@@H](C)CC1 72: 3383952156 = HAOzyQ CC1CCC(C)CC1 72: [11:35:00] done 72: [11:35:00] ******************************************************* 72: [11:35:00] ------------------------------------- 72: [11:35:00] Testing MolHash test3a CHIRALITY EQUAL 72: 396390390 396390390 72: 165703670 165703670 72: 1432360172 1432360172 72: 1432360172 638829804 72: [11:35:00] done 72: [11:35:00] ******************************************************* 72: [11:35:00] ------------------------------------- 72: [11:35:00] Testing MolHash test4 STRING 72: 100-4-3-1Znckg-FvaEaw-0gYnCQ-KNTmug-IhGA6w-9m+gFw C[C@H](F)Cl 72: 100-4-3-1Znckg-FvaEaw-0gYnCQ-KNSixQ-IhGA6w-9m/gCQ C[C@@H](F)Cl 72: 100-4-3-1Znckg-FvaEaw-0gYnCQ-KNQqsA-IhGA6w-9m9gJQ CC(F)Cl 72: 100-4-3-1Znckg-FvaEaw-0gYnCQ-KNQqjw-IhGA6w-9m9gaQ [13CH3]C(F)Cl 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: 100-8-8-mUuAmw-yMBwlA-uCxzDg-OP6lAg-xKA4jw-HAMTHQ C[C@H]1CC[C@H](C)CC1 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: [11:35:00] Warning: atom with more than 1 ring-stereo atoms found. 72: 100-8-8-mUuAmw-yMBwlA-uCxzDg-OP49vg-xKA4jw-HANzcA C[C@H]1CC[C@@H](C)CC1 72: 100-8-8-mUuAmw-yMBwlA-uCxzDg-OP4NRw-xKA4jw-HAOzyQ CC1CCC(C)CC1 72: [11:35:00] done 72: [11:35:00] ******************************************************* 72: [11:35:00] ------------------------------------- 72: [11:35:00] Testing MolHash test5 72: [11:35:00] done 72/91 Test #72: testMolHash ...................... Passed 0.17 sec test 73 Start 73: pyMolHash 73: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolHash/Wrap/testMolHash.py" 73: Test timeout computed to be: 9.99988e+06 73: 73: ---------------------------------------------------------------------- 73: Ran 0 tests in 0.000s 73: 73: OK 73/91 Test #73: pyMolHash ........................ Passed 0.22 sec test 74 Start 74: testSLNParse 74: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/testSLNParse 74: Test timeout computed to be: 9.99988e+06 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test1 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test2: bond orders 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test3: atom properties 74: [11:35:01] SLN Parse Error: syntax error while parsing: CH4[I=13] 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test4: hydrogen handling 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test5: basic queries 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test6: ring queries 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test7: qualified queries 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test8: more complex atom properties 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test9: recursive SLNs 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test10: nested recursive SLNs 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test12: bond queries and properties 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test13: ring closure details 74: [11:35:01] SLN Parser error: Atom ID 1 appears *after* its ring closure. 74: [11:35:01] SLN Parser error: Ring closure 1 does not have a corresponding opener. 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test14: error catching 74: [11:35:01] SLN Parse Error: syntax error while parsing: CH2(C@1H2)CH2(CH2CH2C[1]H2) 74: [11:35:01] SLN Parse Error: syntax error while parsing: CH2(CH2[1])CH2(CH2CH2CH2@1) 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test15: CTAB properties 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test16: simple macro atoms 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test issue277: parse error with & 74: [11:35:01] done 74: [11:35:01] ------------------------------------- 74: [11:35:01] Test issue278: handling of 'not' and 'is' queries on Any 74: [11:35:01] Query property 'is' ignored on non-query atom 74: [11:35:01] Query property 'is' ignored on non-query atom 74: [11:35:01] done 74/91 Test #74: testSLNParse ..................... Passed 0.06 sec test 75 Start 75: pySLNParse 75: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/SLNParse/Wrap/testSLN.py" 75: Test timeout computed to be: 9.99988e+06 75: .. 75: ---------------------------------------------------------------------- 75: Ran 2 tests in 0.035s 75: 75: OK 75/91 Test #75: pySLNParse ....................... Passed 0.34 sec test 76 Start 76: pyGraphMolWrap 76: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/rough_test.py" 76: Test timeout computed to be: 9.99988e+06 76: ..............[11:35:01] SMARTS Parse Error: syntax error for input: fiib 76: .....[11:35:01] SMILES Parse Error: syntax error for input: fail 76: [11:35:01] ERROR: Smiles parse error on line 2 76: [11:35:01] ERROR: Cannot create molecule from : 'fail' 76: >>> This may result in an infinite loop. It should finish almost instantly 76: <<< OK, it finished. 76: ............[11:35:01] Explicit valence for atom # 1 C, 5, is greater than permitted 76: ............[11:35:01] non-ring atom 0 marked aromatic 76: [11:35:01] non-ring atom 0 marked aromatic 76: [11:35:01] 76: 76: **** 76: Range Error 76: idx 76: Violation occurred on line 156 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ROMol.cpp 76: Failed Expression: 0 <= 12 <= 5 76: **** 76: 76: [11:35:01] non-ring atom 0 marked aromatic 76: [11:35:01] non-ring atom 0 marked aromatic 76: [11:35:01] 76: 76: **** 76: Range Error 76: idx 76: Violation occurred on line 156 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/ROMol.cpp 76: Failed Expression: 0 <= 12 <= 5 76: **** 76: 76: ...............[11:35:01] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count. 76: [11:35:01] WARNING: the onlyHeavy argument to mol.GetNumAtoms() has been deprecated. Please use the onlyExplicit argument instead or mol.GetNumHeavyAtoms() if you want the heavy atom count. 76: ..............[11:35:02] Can't kekulize mol 76: 76: [11:35:02] Explicit valence for atom # 1 C, 5, is greater than permitted 76: ............................. 76: ---------------------------------------------------------------------- 76: Ran 101 tests in 5.895s 76: 76: OK 76/91 Test #76: pyGraphMolWrap ................... Passed 6.19 sec test 77 Start 77: pyTestConformerWrap 77: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Wrap/testConformer.py" 77: Test timeout computed to be: 9.99988e+06 77: ..... 77: ---------------------------------------------------------------------- 77: Ran 5 tests in 0.028s 77: 77: OK 77/91 Test #77: pyTestConformerWrap .............. Passed 0.24 sec test 78 Start 78: testQuery 78: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/Query/testQuery 78: Test timeout computed to be: 9.99988e+06 78: Query 78: Query2 78: Equality 78: Greater 78: GreaterEqual 78: Less 78: LessEqual 78: Open Range 78: Closed Range 78: Float 78: With Tolerance 78: Set 78: And 78: Or 78: XOr 78: pointer and copy foo 78: Set2 78/91 Test #78: testQuery ........................ Passed 0.01 sec test 79 Start 79: testMatCalc 79: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataManip/MetricMatrixCalc/testMatCalc 79: Test timeout computed to be: 9.99988e+06 79: 1.68022e+08 79: 1.73149e+08 79: 1.05549e+08 79: 7.20603e+07 79: 1.41535e+08 79: 1.08592e+08 79: 1.11334e+08 79: 2.05553e+08 79: 1.54962e+08 79: 8.08231e+07 79: 5.61421e+07 79: 1.28874e+08 79: 1.59011e+08 79: 8.69902e+07 79: 1.31367e+08 79: 2.27389e+08 79: 1.60289e+08 79: 7.79813e+07 79: 1.61001e+08 79: 2.07599e+08 79: 2.24432e+08 79: 1.39725e+08 79: 2.42614e+08 79: 1.77578e+08 79: 1.05908e+08 79: 9.06742e+07 79: 1.8087e+08 79: 1.98182e+08 79: 2.03052e+08 79: 1.7673e+08 79: 9.32798e+07 79: 1.37969e+08 79: 1.83778e+08 79: 2.1228e+08 79: 5.06157e+07 79: 1.566e+08 79: 2.37142e+08 79: 1.49345e+08 79: 7.05819e+07 79: 1.71633e+08 79: 1.96817e+08 79: 2.18246e+08 79: 9.49496e+07 79: 2.25618e+08 79: 1.30219e+08 79/91 Test #79: testMatCalc ...................... Passed 0.01 sec test 80 Start 80: pyMatCalc 80: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/DataManip/MetricMatrixCalc/Wrap/testMatricCalc.py" 80: Test timeout computed to be: 9.99988e+06 80: ..... 80: ---------------------------------------------------------------------- 80: Ran 5 tests in 0.664s 80: 80: OK 80/91 Test #80: pyMatCalc ........................ Passed 0.86 sec test 81 Start 81: pySimDivPickers 81: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/SimDivPickers/Wrap/testPickers.py" 81: Test timeout computed to be: 9.99988e+06 81: ...... 81: ---------------------------------------------------------------------- 81: Ran 6 tests in 2.626s 81: 81: OK 81/91 Test #81: pySimDivPickers .................. Passed 2.78 sec test 82 Start 82: pyRanker 82: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory/Wrap/testRanker.py" 82: Test timeout computed to be: 9.99988e+06 82: ..[11:35:11] 82: 82: **** 82: Invariant Violation 82: Can't rank more bits than the ensemble size 82: Violation occurred on line 156 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ML/InfoTheory/InfoBitRanker.cpp 82: Failed Expression: num <= dp_maskBits->getNumOnBits() 82: **** 82: 82: ... 82: ---------------------------------------------------------------------- 82: Ran 5 tests in 0.018s 82: 82: OK 82/91 Test #82: pyRanker ......................... Passed 0.10 sec test 83 Start 83: testChemicalFeatures 83: Test command: /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/testChemicalFeatures 83: Test timeout computed to be: 9.99988e+06 83: ----------------------------------------- 83: Test1 83: Done 83/91 Test #83: testChemicalFeatures ............. Passed 0.00 sec test 84 Start 84: pyFeatures 84: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Code/ChemicalFeatures/Wrap/testFeatures.py" 84: Test timeout computed to be: 9.99988e+06 84: .. 84: ---------------------------------------------------------------------- 84: Ran 2 tests in 0.001s 84: 84: OK 84: Testing ChemicalFeatures Wrapper code: 84/91 Test #84: pyFeatures ....................... Passed 0.09 sec test 85 Start 85: pythonTestDbCLI 85: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/Projects/test_list.py" "--testDir" "/builddir/build/BUILD/rdkit-Release_2015_03_1/Projects" 85: Test timeout computed to be: 9.99988e+06 85: [11:35:11] INFO: Reading molecules and constructing molecular database. 85: [11:35:11] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 85: [11:35:11] INFO: Processing 10 molecules 85: [11:35:12] INFO: Generating fingerprints and descriptors: 85: [11:35:12] INFO: Finished. 85: [11:35:12] INFO: Reading molecules and constructing molecular database. 85: [11:35:12] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 85: [11:35:12] INFO: Processing 163 molecules 85: [11:35:12] INFO: done 100 85: [11:35:12] INFO: Generating fingerprints and descriptors: 85: [11:35:14] INFO: Finished. 85: [11:35:15] INFO: Reading query molecules and generating fingerprints 85: [11:35:15] INFO: Finding Neighbors 85: [11:35:15] INFO: The search took 0.2 seconds 85: [11:35:15] INFO: Creating output 85: [11:35:15] INFO: Done! 85: [11:35:16] INFO: Reading query molecules and generating fingerprints 85: [11:35:16] INFO: Finding Neighbors 85: [11:35:16] INFO: The search took 0.2 seconds 85: [11:35:16] INFO: Creating output 85: [11:35:16] INFO: Done! 85: [11:35:16] INFO: Reading query molecules and generating fingerprints 85: [11:35:16] INFO: Finding Neighbors 85: [11:35:16] INFO: The search took 0.1 seconds 85: [11:35:16] INFO: Creating output 85: [11:35:16] INFO: Done! 85: [11:35:16] INFO: Doing property query 85: [11:35:16] INFO: Found 30 molecules matching the query 85: [11:35:16] INFO: Creating output 85: [11:35:16] INFO: Done! 85: [11:35:17] INFO: Doing property query 85: [11:35:17] INFO: Found 30 molecules matching the query 85: [11:35:17] INFO: Creating output 85: [11:35:17] INFO: Done! 85: [11:35:17] INFO: Doing substructure query 85: [11:35:17] INFO: Fingerprint screenout rate: 112 of 163 (%68.71) 85: [11:35:17] INFO: Found 49 molecules matching the query 85: [11:35:17] INFO: Creating output 85: [11:35:17] INFO: Done! 85: [11:35:17] INFO: Doing substructure query 85: [11:35:17] INFO: Fingerprint screenout rate: 112 of 163 (%68.71) 85: [11:35:17] INFO: Found 49 molecules matching the query 85: [11:35:17] INFO: Creating output 85: [11:35:17] INFO: Done! 85: [11:35:17] INFO: Doing substructure query 85: [11:35:17] INFO: Found 114 molecules matching the query 85: [11:35:17] INFO: Creating output 85: [11:35:17] INFO: Done! 85: [11:35:17] INFO: Doing substructure query 85: [11:35:17] INFO: Fingerprint screenout rate: 23 of 30 (%76.67) 85: [11:35:17] INFO: Found 5 molecules matching the query 85: [11:35:17] INFO: Creating output 85: [11:35:17] INFO: Done! 85: [11:35:17] INFO: Doing substructure query 85: [11:35:17] INFO: Found 25 molecules matching the query 85: [11:35:17] INFO: Creating output 85: [11:35:17] INFO: Done! 85: [11:35:17] INFO: Reading query molecules and generating fingerprints 85: [11:35:19] INFO: Finding Neighbors 85: [11:35:19] INFO: The search took 0.3 seconds 85: [11:35:19] INFO: Creating output 85: [11:35:19] INFO: Done! 85: [11:35:20] INFO: Reading query molecules and generating fingerprints 85: [11:35:20] INFO: Finding Neighbors 85: [11:35:20] INFO: The search took 0.0 seconds 85: [11:35:20] INFO: Creating output 85: [11:35:20] INFO: Done! 85: [11:35:20] INFO: Reading molecules and constructing molecular database. 85: [11:35:20] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 85: [11:35:20] INFO: Processing 10 molecules 85: [11:35:20] INFO: Generating fingerprints and descriptors: 85: [11:35:20] INFO: Finished. 85: [11:35:20] INFO: Reading molecules and constructing molecular database. 85: [11:35:20] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 85: [11:35:20] INFO: Processing 10 molecules 85: [11:35:20] INFO: Generating fingerprints and descriptors: 85: [11:35:20] INFO: Finished. 85: [11:35:20] INFO: Reading molecules and constructing molecular database. 85: [11:35:20] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 85: [11:35:20] INFO: Processing 10 molecules 85: [11:35:20] INFO: Generating fingerprints and descriptors: 85: [11:35:20] INFO: Finished. 85: [11:35:20] INFO: Reading molecules and constructing molecular database. 85: [11:35:20] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 85: [11:35:20] INFO: Generating fingerprints and descriptors: 85: [11:35:20] INFO: Finished. 85: [11:35:20] INFO: Reading molecules and constructing molecular database. 85: [11:35:20] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 85: [11:35:20] INFO: Generating fingerprints and descriptors: 85: [11:35:20] INFO: Finished. 85: [11:35:20] INFO: Guessing that mol format is 'sdf'. Use --molFormat argument if this is wrong. 85: [11:35:20] INFO: Reading molecules and constructing molecular database. 85: [11:35:20] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 85: [11:35:20] INFO: Processing 163 molecules 85: [11:35:20] INFO: done 100 85: [11:35:20] INFO: Generating fingerprints and descriptors: 85: [11:35:21] INFO: Finished. 85: [11:35:21] INFO: Reading query molecules and generating fingerprints 85: [11:35:21] INFO: Finding Neighbors 85: [11:35:21] INFO: The search took 0.1 seconds 85: [11:35:21] INFO: Creating output 85: [11:35:21] INFO: Done! 85: [11:35:21] INFO: Reading molecules and constructing molecular database. 85: [11:35:21] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 85: [11:35:21] INFO: Processing 10 molecules 85: [11:35:21] INFO: Generating fingerprints and descriptors: 85: [11:35:21] INFO: Finished. 85: [11:35:21] INFO: Reading molecules and constructing molecular database. 85: [11:35:21] INFO: Generating molecular database in file testData/bzr/Compounds.sqlt 85: [11:35:21] INFO: Processing 10 molecules 85: [11:35:21] INFO: Generating fingerprints and descriptors: 85: [11:35:21] INFO: Finished. 85: ............ 85: ---------------------------------------------------------------------- 85: Ran 12 tests in 10.004s 85: 85: OK 85/91 Test #85: pythonTestDbCLI .................. Passed 10.05 sec test 86 Start 86: pythonTestDirML 86: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/ML/test_list.py" "--testDir" "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/ML" 86: Test timeout computed to be: 9.99988e+06 86: ....... 86: ---------------------------------------------------------------------- 86: Ran 7 tests in 0.801s 86: 86: OK 86: ............ 86: ---------------------------------------------------------------------- 86: Ran 12 tests in 0.222s 86: 86: OK 86: . 86: ---------------------------------------------------------------------- 86: Ran 1 test in 0.120s 86: 86: OK 86: ... 86: ---------------------------------------------------------------------- 86: Ran 3 tests in 0.002s 86: 86: OK 86: ....... 86: ---------------------------------------------------------------------- 86: Ran 7 tests in 0.001s 86: 86: OK 86: ... 86: ---------------------------------------------------------------------- 86: Ran 3 tests in 0.470s 86: 86: OK 86: .... 86: ---------------------------------------------------------------------- 86: Ran 4 tests in 0.004s 86: 86: OK 86: ...... 86: ---------------------------------------------------------------------- 86: Ran 6 tests in 0.006s 86: 86: OK 86: ............ 86: ---------------------------------------------------------------------- 86: Ran 12 tests in 0.003s 86: 86: OK 86: ..... 86: ---------------------------------------------------------------------- 86: Ran 5 tests in 0.014s 86: 86: OK 86: ........ 86: ---------------------------------------------------------------------- 86: Ran 8 tests in 0.002s 86: 86: OK 86: 86: testing AddChild: 86: testing GetName: 86: testing GetChildren: 86: testing PruneChild: 86: testing tree equals: 86: testing pickled tree equals: 86: testing deepcopy on trees: 86: ... 86: ---------------------------------------------------------------------- 86: Ran 3 tests in 0.087s 86: 86: OK 86: testing list membership: 86: use selection with replacement: 86: test the results of CrossValidation: 86: ...... 86: ---------------------------------------------------------------------- 86: Ran 6 tests in 0.018s 86: 86: OK 86: test that the CrossValidationDriver runs: 86: testing basic tree growth: 86: testing basic tree classification: 86: testing multivalued tree growth: 86: testing basic tree growth (python entropy code): 86: testing tree classification (python entropy code): 86: . 86: ---------------------------------------------------------------------- 86: Ran 1 test in 0.006s 86: 86: OK 86: ......... 86: ---------------------------------------------------------------------- 86: Ran 9 tests in 0.015s 86: 86: OK 86: testing multivalued tree growth (python entropy code): 86: testing tree comparisons: 86: testing tree1: 86: testing tree2: 86: testing classification: 86: testing unused variables: 86: a more extensive test of the cmp stuff using hand-built trees: 86: a more extensive test of the cmp stuff using pickled trees: 86: try recycling descriptors: 86: .... 86: ---------------------------------------------------------------------- 86: Ran 4 tests in 0.088s 86: 86: OK 86: .. 86: ---------------------------------------------------------------------- 86: Ran 2 tests in 0.002s 86: 86: OK 86: try random forests descriptors: 86: testing calculation of a single descriptor: 86: ... 86: ---------------------------------------------------------------------- 86: Ran 3 tests in 0.014s 86: 86: OK 86: .. 86: ---------------------------------------------------------------------- 86: Ran 2 tests in 0.006s 86: 86: OK 86: .. 86: ---------------------------------------------------------------------- 86: Ran 2 tests in 0.452s 86: 86: OK 86: .... 86: ---------------------------------------------------------------------- 86: Ran 4 tests in 0.589s 86: 86: OK 86: ..... 86: ---------------------------------------------------------------------- 86: Ran 5 tests in 0.317s 86: 86: OK 86: .... 86: ---------------------------------------------------------------------- 86: Ran 4 tests in 0.013s 86: 86: OK 86: ... 86: ---------------------------------------------------------------------- 86: Ran 3 tests in 0.383s 86: 86: OK 86: testing calculation of multiple descriptors: 86: testing backprop training on and: 86: testing backprop training on a linear function: 86: .. 86: ---------------------------------------------------------------------- 86: Ran 2 tests in 0.001s 86: 86: OK 86: testing backprop training on or: 86: testing Burges empirical risk bound: 86: testing Cherkassky empirical risk bound: 86/91 Test #86: pythonTestDirML .................. Passed 8.78 sec test 87 Start 87: pythonTestDirDataStructs 87: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/DataStructs/test_list.py" "--testDir" "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/DataStructs" 87: Test timeout computed to be: 9.99988e+06 87/91 Test #87: pythonTestDirDataStructs ......... Passed 0.03 sec test 88 Start 88: pythonTestDirDbase 88: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/Dbase/test_list.py" "--testDir" "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/Dbase" 88: Test timeout computed to be: 9.99988e+06 88/91 Test #88: pythonTestDirDbase ............... Passed 0.02 sec test 89 Start 89: pythonTestDirSimDivFilters 89: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/SimDivFilters/test_list.py" "--testDir" "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/SimDivFilters" 89: Test timeout computed to be: 9.99988e+06 89/91 Test #89: pythonTestDirSimDivFilters ....... Passed 0.02 sec test 90 Start 90: pythonTestDirVLib 90: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/VLib/test_list.py" "--testDir" "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/VLib" 90: Test timeout computed to be: 9.99988e+06 90/91 Test #90: pythonTestDirVLib ................ Passed 0.02 sec test 91 Start 91: pythonTestDirChem 91: Test command: /usr/bin/python "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/Chem/test_list.py" "--testDir" "/builddir/build/BUILD/rdkit-Release_2015_03_1/rdkit/Chem" 91: Test timeout computed to be: 9.99988e+06 91: .... 91: ---------------------------------------------------------------------- 91: Ran 4 tests in 0.105s 91: 91: OK 91: ...... 91: ---------------------------------------------------------------------- 91: Ran 6 tests in 0.092s 91: 91: OK 91: ....[11:35:31] 91: 91: **** 91: Pre-condition Violation 91: valence not defined for atoms not associated with molecules 91: Violation occurred on line 269 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/Atom.cpp 91: Failed Expression: dp_mol 91: **** 91: 91: . 91: ---------------------------------------------------------------------- 91: Ran 5 tests in 0.015s 91: 91: OK 91: .... 91: ---------------------------------------------------------------------- 91: Ran 4 tests in 0.018s 91: 91: OK 91: .. 91: ---------------------------------------------------------------------- 91: Ran 2 tests in 0.018s 91: 91: OK 91: ...................... 91: ---------------------------------------------------------------------- 91: Ran 22 tests in 0.072s 91: 91: OK 91: ....................... 91: ---------------------------------------------------------------------- 91: Ran 23 tests in 0.341s 91: 91: OK 91: .. 91: ---------------------------------------------------------------------- 91: Ran 2 tests in 0.154s 91: 91: OK 91: 91: testing first 200 mols from NCI: 91: .......................................... 91: ---------------------------------------------------------------------- 91: Ran 42 tests in 0.409s 91: 91: OK 91: .... 91: ---------------------------------------------------------------------- 91: Ran 4 tests in 0.021s 91: 91: OK 91: . 91: ---------------------------------------------------------------------- 91: Ran 1 test in 0.011s 91: 91: OK 91: testing a problem with the acceptor definition: 91: ...... 91: ---------------------------------------------------------------------- 91: Ran 6 tests in 0.035s 91: 91: OK 91: ..[11:35:35] SMILES Parse Error: syntax error for input: fail 91: [11:35:35] ERROR: Smiles parse error on line 2 91: [11:35:35] ERROR: Cannot create molecule from : 'fail' 91: . 91: ---------------------------------------------------------------------- 91: Ran 3 tests in 0.062s 91: 91: OK 91: .. 91: ---------------------------------------------------------------------- 91: Ran 2 tests in 0.105s 91: 91: OK 91: ..[11:35:36] WARNING: More than one matching pattern found - picking one 91: [11:35:36] WARNING: More than one matching pattern found - picking one 91: . 91: ---------------------------------------------------------------------- 91: Ran 3 tests in 0.049s 91: 91: OK 91: ........ 91: ---------------------------------------------------------------------- 91: Ran 8 tests in 0.092s 91: 91: OK 91: .................. 91: ---------------------------------------------------------------------- 91: Ran 18 tests in 0.051s 91: 91: OK 91: ............. 91: ---------------------------------------------------------------------- 91: Ran 13 tests in 0.994s 91: 91: OK 91: .... 91: ---------------------------------------------------------------------- 91: Ran 4 tests in 2.945s 91: 91: OK 91: [11:35:41] WARNING: More than one matching pattern found - picking one 91: [11:35:41] WARNING: More than one matching pattern found - picking one 91: [11:35:41] WARNING: Omitted undefined stereo 91: [11:35:41] WARNING: Proton(s) added/removed 91: first set of test cases: InChI write Summary: 1164 identical, 0 suffix variance, 17 reasonable 91: ..[11:35:43] ERROR: *Conversion failed on component(s) 1(C23H33O6) 91: [11:35:53] Explicit valence for atom # 7 N, 5, is greater than permitted 91: [11:35:53] ERROR: Sanitization error: Explicit valence for atom # 7 N, 5, is greater than permitted 91: ... 91: ---------------------------------------------------------------------- 91: Ran 5 tests in 13.853s 91: 91: OK 91: InChI Read Summary: 550 identical, 0 variance, 631 reasonable variance 91: .... 91: ---------------------------------------------------------------------- 91: Ran 4 tests in 2.903s 91: 91: OK 91: ...... 91: ---------------------------------------------------------------------- 91: Ran 6 tests in 0.712s 91: 91: OK 91: pandas installation not found, skipping tests 91: ... 91: ---------------------------------------------------------------------- 91: Ran 3 tests in 0.975s 91: 91: OK 91: .. 91: ---------------------------------------------------------------------- 91: Ran 2 tests in 0.102s 91: 91: OK 91: ..... 91: ---------------------------------------------------------------------- 91: Ran 5 tests in 0.014s 91: 91: OK 91: . 91: ---------------------------------------------------------------------- 91: Ran 1 test in 0.023s 91: 91: OK 91: .. 91: ---------------------------------------------------------------------- 91: Ran 2 tests in 0.028s 91: 91: OK 91: . 91: ---------------------------------------------------------------------- 91: Ran 1 test in 0.255s 91: 91: OK 91: ........ 91: ---------------------------------------------------------------------- 91: Ran 8 tests in 0.003s 91: 91: OK 91: . 91: ---------------------------------------------------------------------- 91: Ran 1 test in 0.001s 91: 91: OK 91: .. 91: ---------------------------------------------------------------------- 91: Ran 2 tests in 0.005s 91: 91: OK 91: ...... 91: ---------------------------------------------------------------------- 91: Ran 6 tests in 0.027s 91: 91: OK 91: ... 91: ---------------------------------------------------------------------- 91: Ran 3 tests in 0.031s 91: 91: OK 91: ... 91: ---------------------------------------------------------------------- 91: Ran 3 tests in 4.406s 91: 91: OK 91: .......... 91: ---------------------------------------------------------------------- 91: Ran 10 tests in 0.104s 91: 91: OK 91: ..... 91: ---------------------------------------------------------------------- 91: Ran 5 tests in 0.001s 91: 91: OK 91: .... 91: ---------------------------------------------------------------------- 91: Ran 4 tests in 0.168s 91: 91: OK 91: ..... 91: ---------------------------------------------------------------------- 91: Ran 5 tests in 6.044s 91: 91: OK 91: mol_197 91: 218.80,35.75,110.33,11.58,109.66,11.09,90.35,2.95,0.00 91: mol_223 91: 259.19,6.27,134.13,1.12,134.06,1.12,85.74,0.61,0.00 91: mol_269 91: 204.51,7.89,103.89,1.20,102.66,1.20,88.07,1.21,6.00 91: ...[11:36:18] 91: 91: **** 91: Pre-condition Violation 91: molecule has no conformers 91: Violation occurred on line 37 in file /builddir/build/BUILD/rdkit-Release_2015_03_1/Code/GraphMol/MolChemicalFeatures/MolChemicalFeature.cpp 91: Failed Expression: dp_mol->getNumConformers() 91: **** 91: 91: . 91: ---------------------------------------------------------------------- 91: Ran 4 tests in 0.043s 91: 91: OK 91: . 91: ---------------------------------------------------------------------- 91: Ran 1 test in 0.214s 91: 91: OK 91: ..[11:36:19] SMILES Parse Error: syntax error for input: fail 91: [11:36:19] ERROR: Smiles parse error on line 2 91: [11:36:19] ERROR: Cannot create molecule from : 'fail' 91: [11:36:19] SMILES Parse Error: syntax error for input: fail 91: [11:36:19] ERROR: Smiles parse error on line 2 91: [11:36:19] ERROR: Cannot create molecule from : 'fail' 91: . 91: ---------------------------------------------------------------------- 91: Ran 3 tests in 0.025s 91: 91: OK 91: .. 91: ---------------------------------------------------------------------- 91: Ran 2 tests in 0.793s 91: 91: OK 91: ............ 91: ---------------------------------------------------------------------- 91: Ran 12 tests in 0.126s 91: 91: OK 91: [11:36:21] INFO: Skipping agg test 91: [11:36:21] INFO: Skipping sping test 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:22] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: [11:36:23] non-ring atom 1 marked aromatic 91: . 91: ---------------------------------------------------------------------- 91: Ran 1 test in 0.126s 91: 91: OK 91/91 Test #91: pythonTestDirChem ................ Passed 52.79 sec 100% tests passed, 0 tests failed out of 91 Total Test time (real) = 160.23 sec + exit 0 Processing files: rdkit-2015.03.1-2.el7.centos.x86_64 Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.6QeImN + umask 022 + cd /builddir/build/BUILD + cd rdkit-Release_2015_03_1 + DOCDIR=/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/doc/rdkit-2015.03.1 + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/doc/rdkit-2015.03.1 + cp -pr license.txt /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/doc/rdkit-2015.03.1 + cp -pr ReleaseNotes.txt /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/doc/rdkit-2015.03.1 + exit 0 Provides: libAlignment.so.1()(64bit) libCatalogs.so.1()(64bit) libChemReactions.so.1()(64bit) libChemTransforms.so.1()(64bit) libChemicalFeatures.so.1()(64bit) libDataStructs.so.1()(64bit) libDepictor.so.1()(64bit) libDescriptors.so.1()(64bit) libDistGeomHelpers.so.1()(64bit) libDistGeometry.so.1()(64bit) libEigenSolvers.so.1()(64bit) libFMCS.so.1()(64bit) libFileParsers.so.1()(64bit) libFingerprints.so.1()(64bit) libForceField.so.1()(64bit) libForceFieldHelpers.so.1()(64bit) libFragCatalog.so.1()(64bit) libGraphMol.so.1()(64bit) libInfoTheory.so.1()(64bit) libMolAlign.so.1()(64bit) libMolCatalog.so.1()(64bit) libMolChemicalFeatures.so.1()(64bit) libMolDraw2D.so.1()(64bit) libMolHash.so.1()(64bit) libMolTransforms.so.1()(64bit) libOptimizer.so.1()(64bit) libPartialCharges.so.1()(64bit) libRDBoost.so.1()(64bit) libRDGeneral.so.1()(64bit) libRDGeometryLib.so.1()(64bit) libRDInchiLib.so.1()(64bit) libSLNParse.so.1()(64bit) libShapeHelpers.so.1()(64bit) libSimDivPickers.so.1()(64bit) libSmilesParse.so.1()(64bit) libSubgraphs.so.1()(64bit) libSubstructMatch.so.1()(64bit) libhc.so.1()(64bit) rdkit = 2015.03.1-2.el7.centos rdkit(x86-64) = 2015.03.1-2.el7.centos Requires(interp): /sbin/ldconfig /sbin/ldconfig Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires(post): /sbin/ldconfig Requires(postun): /sbin/ldconfig Requires: libAlignment.so.1()(64bit) libCatalogs.so.1()(64bit) libChemTransforms.so.1()(64bit) libDataStructs.so.1()(64bit) libDepictor.so.1()(64bit) libDescriptors.so.1()(64bit) libDistGeometry.so.1()(64bit) libEigenSolvers.so.1()(64bit) libFileParsers.so.1()(64bit) libFingerprints.so.1()(64bit) libForceField.so.1()(64bit) libForceFieldHelpers.so.1()(64bit) libGraphMol.so.1()(64bit) libMolTransforms.so.1()(64bit) libOptimizer.so.1()(64bit) libPartialCharges.so.1()(64bit) libRDGeneral.so.1()(64bit) libRDGeometryLib.so.1()(64bit) libSmilesParse.so.1()(64bit) libSubgraphs.so.1()(64bit) libSubstructMatch.so.1()(64bit) libboost_python-mt.so.1.53.0()(64bit) libboost_regex-mt.so.1.53.0()(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.3.4)(64bit) libc.so.6(GLIBC_2.4)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libgcc_s.so.1(GCC_4.0.0)(64bit) libhc.so.1()(64bit) libinchi.so.1()(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libpthread.so.0()(64bit) libpthread.so.0(GLIBC_2.2.5)(64bit) libpython2.7.so.1.0()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.1)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) rtld(GNU_HASH) Processing files: rdkit-devel-2015.03.1-2.el7.centos.x86_64 Provides: rdkit-devel = 2015.03.1-2.el7.centos rdkit-devel(x86-64) = 2015.03.1-2.el7.centos Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libAlignment.so.1()(64bit) libCatalogs.so.1()(64bit) libChemReactions.so.1()(64bit) libChemTransforms.so.1()(64bit) libChemicalFeatures.so.1()(64bit) libDataStructs.so.1()(64bit) libDepictor.so.1()(64bit) libDescriptors.so.1()(64bit) libDistGeomHelpers.so.1()(64bit) libDistGeometry.so.1()(64bit) libEigenSolvers.so.1()(64bit) libFMCS.so.1()(64bit) libFileParsers.so.1()(64bit) libFingerprints.so.1()(64bit) libForceField.so.1()(64bit) libForceFieldHelpers.so.1()(64bit) libFragCatalog.so.1()(64bit) libGraphMol.so.1()(64bit) libInfoTheory.so.1()(64bit) libMolAlign.so.1()(64bit) libMolCatalog.so.1()(64bit) libMolChemicalFeatures.so.1()(64bit) libMolDraw2D.so.1()(64bit) libMolHash.so.1()(64bit) libMolTransforms.so.1()(64bit) libOptimizer.so.1()(64bit) libPartialCharges.so.1()(64bit) libRDBoost.so.1()(64bit) libRDGeneral.so.1()(64bit) libRDGeometryLib.so.1()(64bit) libRDInchiLib.so.1()(64bit) libSLNParse.so.1()(64bit) libShapeHelpers.so.1()(64bit) libSimDivPickers.so.1()(64bit) libSmilesParse.so.1()(64bit) libSubgraphs.so.1()(64bit) libSubstructMatch.so.1()(64bit) libhc.so.1()(64bit) Processing files: rdkit-doc-2015.03.1-2.el7.centos.noarch Provides: rdkit-doc = 2015.03.1-2.el7.centos Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Processing files: rdkit-extras-2015.03.1-2.el7.centos.noarch Provides: rdkit-extras = 2015.03.1-2.el7.centos Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: /usr/bin/python Processing files: python-rdkit-2015.03.1-2.el7.centos.x86_64 Provides: python-rdkit = 2015.03.1-2.el7.centos python-rdkit(x86-64) = 2015.03.1-2.el7.centos Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PartialHardlinkSets) <= 4.0.4-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libAlignment.so.1()(64bit) libCatalogs.so.1()(64bit) libChemReactions.so.1()(64bit) libChemTransforms.so.1()(64bit) libChemicalFeatures.so.1()(64bit) libDataStructs.so.1()(64bit) libDepictor.so.1()(64bit) libDescriptors.so.1()(64bit) libDistGeomHelpers.so.1()(64bit) libDistGeometry.so.1()(64bit) libEigenSolvers.so.1()(64bit) libFMCS.so.1()(64bit) libFileParsers.so.1()(64bit) libFingerprints.so.1()(64bit) libForceField.so.1()(64bit) libForceFieldHelpers.so.1()(64bit) libFragCatalog.so.1()(64bit) libGraphMol.so.1()(64bit) libInfoTheory.so.1()(64bit) libMolAlign.so.1()(64bit) libMolCatalog.so.1()(64bit) libMolChemicalFeatures.so.1()(64bit) libMolDraw2D.so.1()(64bit) libMolHash.so.1()(64bit) libMolTransforms.so.1()(64bit) libOptimizer.so.1()(64bit) libPartialCharges.so.1()(64bit) libRDBoost.so.1()(64bit) libRDGeneral.so.1()(64bit) libRDGeometryLib.so.1()(64bit) libRDInchiLib.so.1()(64bit) libSLNParse.so.1()(64bit) libShapeHelpers.so.1()(64bit) libSimDivPickers.so.1()(64bit) libSmilesParse.so.1()(64bit) libSubgraphs.so.1()(64bit) libSubstructMatch.so.1()(64bit) libboost_python-mt.so.1.53.0()(64bit) libboost_regex-mt.so.1.53.0()(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.4)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libhc.so.1()(64bit) libinchi.so.1()(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libpthread.so.0()(64bit) libpthread.so.0(GLIBC_2.2.5)(64bit) libpython2.7.so.1.0()(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(CXXABI_1.3.1)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) libstdc++.so.6(GLIBCXX_3.4.11)(64bit) libstdc++.so.6(GLIBCXX_3.4.15)(64bit) libstdc++.so.6(GLIBCXX_3.4.9)(64bit) python(abi) = 2.7 rtld(GNU_HASH) Processing files: rdkit-postgresql-2015.03.1-2.el7.centos.x86_64 Executing(%doc): /bin/sh -e /var/tmp/rpm-tmp.ZRBZQ4 + umask 022 + cd /builddir/build/BUILD + cd rdkit-Release_2015_03_1 + DOCDIR=/builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/doc/rdkit-postgresql-2015.03.1 + export DOCDIR + /usr/bin/mkdir -p /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/doc/rdkit-postgresql-2015.03.1 + cp -pr Code/PgSQL/rdkit/README /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64/usr/share/doc/rdkit-postgresql-2015.03.1 + exit 0 Provides: rdkit-postgresql = 2015.03.1-2.el7.centos rdkit-postgresql(x86-64) = 2015.03.1-2.el7.centos Requires(rpmlib): rpmlib(CompressedFileNames) <= 3.0.4-1 rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 Requires: libChemReactions.so.1()(64bit) libChemTransforms.so.1()(64bit) libDataStructs.so.1()(64bit) libDepictor.so.1()(64bit) libDescriptors.so.1()(64bit) libFMCS.so.1()(64bit) libFileParsers.so.1()(64bit) libFingerprints.so.1()(64bit) libGraphMol.so.1()(64bit) libMolHash.so.1()(64bit) libRDGeneral.so.1()(64bit) libSmilesParse.so.1()(64bit) libSubstructMatch.so.1()(64bit) libc.so.6()(64bit) libc.so.6(GLIBC_2.14)(64bit) libc.so.6(GLIBC_2.2.5)(64bit) libc.so.6(GLIBC_2.4)(64bit) libgcc_s.so.1()(64bit) libgcc_s.so.1(GCC_3.0)(64bit) libm.so.6()(64bit) libm.so.6(GLIBC_2.2.5)(64bit) libpthread.so.0()(64bit) libpthread.so.0(GLIBC_2.2.5)(64bit) libstdc++.so.6()(64bit) libstdc++.so.6(CXXABI_1.3)(64bit) libstdc++.so.6(GLIBCXX_3.4)(64bit) rtld(GNU_HASH) Processing files: rdkit-debuginfo-2015.03.1-2.el7.centos.x86_64 Provides: rdkit-debuginfo = 2015.03.1-2.el7.centos rdkit-debuginfo(x86-64) = 2015.03.1-2.el7.centos Requires(rpmlib): rpmlib(FileDigests) <= 4.6.0-1 rpmlib(PayloadFilesHavePrefix) <= 4.0-1 rpmlib(CompressedFileNames) <= 3.0.4-1 Checking for unpackaged file(s): /usr/lib/rpm/check-files /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64 Wrote: /builddir/build/RPMS/rdkit-2015.03.1-2.el7.centos.x86_64.rpm Wrote: /builddir/build/RPMS/rdkit-devel-2015.03.1-2.el7.centos.x86_64.rpm Wrote: /builddir/build/RPMS/rdkit-doc-2015.03.1-2.el7.centos.noarch.rpm Wrote: /builddir/build/RPMS/rdkit-extras-2015.03.1-2.el7.centos.noarch.rpm Wrote: /builddir/build/RPMS/python-rdkit-2015.03.1-2.el7.centos.x86_64.rpm Wrote: /builddir/build/RPMS/rdkit-postgresql-2015.03.1-2.el7.centos.x86_64.rpm Wrote: /builddir/build/RPMS/rdkit-debuginfo-2015.03.1-2.el7.centos.x86_64.rpm Executing(%clean): /bin/sh -e /var/tmp/rpm-tmp.X5TPBp + umask 022 + cd /builddir/build/BUILD + cd rdkit-Release_2015_03_1 + /usr/bin/rm -rf /builddir/build/BUILDROOT/rdkit-2015.03.1-2.el7.centos.x86_64 + exit 0 Child return code was: 0 LEAVE do -->