%global __brp_check_rpaths %{nil} %global __requires_exclude ^libmpi %global packname dynafluxr %global packver 1.0.1 %global rlibdir /usr/local/lib/R/library Name: R-CRAN-%{packname} Version: 1.0.1 Release: 1%{?dist}%{?buildtag} Summary: Retrieve Reaction Rate Dynamics from Metabolite Concentration Time Courses License: GPL-2 URL: https://cran.r-project.org/package=%{packname} Source0: %{url}&version=%{packver}#/%{packname}_%{packver}.tar.gz BuildRequires: R-devel Requires: R-core BuildArch: noarch BuildRequires: R-CRAN-bspline >= 2.5.0 BuildRequires: R-CRAN-nlsic >= 1.1.1 BuildRequires: R-CRAN-gmresls >= 0.2 BuildRequires: R-CRAN-optparse BuildRequires: R-CRAN-qpdf BuildRequires: R-CRAN-arrApply BuildRequires: R-CRAN-slam BuildRequires: R-CRAN-shiny BuildRequires: R-CRAN-shinyjs BuildRequires: R-CRAN-shinyFiles Requires: R-CRAN-bspline >= 2.5.0 Requires: R-CRAN-nlsic >= 1.1.1 Requires: R-CRAN-gmresls >= 0.2 Requires: R-CRAN-optparse Requires: R-CRAN-qpdf Requires: R-CRAN-arrApply Requires: R-CRAN-slam Requires: R-CRAN-shiny Requires: R-CRAN-shinyjs Requires: R-CRAN-shinyFiles %description Reaction rate dynamics can be retrieved from metabolite concentration time courses. User has to provide corresponding stoichiometric matrix but not a regulation model (Michaelis-Menten or similar). Instead of solving an ordinary differential equation (ODE) system describing the evolution of concentrations, we use B-splines to catch the concentration and rate dynamics then solve a least square problem on their coefficients with non-negativity (and optionally monotonicity) constraints. Constraints can be also set on initial values of concentration. The package 'dynafluxr' can be used as a library but also as an application with command line interface dynafluxr::cli("-h") or graphical user interface dynafluxr::gui(). %prep %setup -q -c -n %{packname} # fix end of executable files find -type f -executable -exec grep -Iq . {} \; -exec sed -i -e '$a\' {} \; # prevent binary stripping [ -d %{packname}/src ] && find %{packname}/src -type f -exec \ sed -i 's@/usr/bin/strip@/usr/bin/true@g' {} \; || true [ -d %{packname}/src ] && find %{packname}/src/Make* -type f -exec \ sed -i 's@-g0@@g' {} \; || true # don't allow local prefix in executable scripts find -type f -executable -exec sed -Ei 's@#!( )*/usr/local/bin@#!/usr/bin@g' {} \; %build %install mkdir -p %{buildroot}%{rlibdir} %{_bindir}/R CMD INSTALL -l %{buildroot}%{rlibdir} %{packname} test -d %{packname}/src && (cd %{packname}/src; rm -f *.o *.so) rm -f %{buildroot}%{rlibdir}/R.css # remove buildroot from installed files find %{buildroot}%{rlibdir} -type f -exec sed -i "s@%{buildroot}@@g" {} \; %files %{rlibdir}/%{packname}