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openSUSE:Backports:SLE-15-SP5
votca-csg
votca-csg.spec
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File votca-csg.spec of Package votca-csg
# # spec file for package votca-csg # # Copyright (c) 2020-2021 SUSE LLC # Copyright (c) 2013-2021 Christoph Junghans # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed # upon. The license for this file, and modifications and additions to the # file, is the same license as for the pristine package itself (unless the # license for the pristine package is not an Open Source License, in which # case the license is the MIT License). An "Open Source License" is a # license that conforms to the Open Source Definition (Version 1.9) # published by the Open Source Initiative. # Please submit bugfixes or comments via https://bugs.opensuse.org/ # Name: votca-csg Version: 1.6.4 Release: 0 %define uversion %{version} %define sover 6 Summary: VOTCA coarse-graining engine License: Apache-2.0 Group: Productivity/Scientific/Chemistry URL: http://www.votca.org Source0: https://github.com/votca/csg/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz Source1: https://github.com/votca/csg-tutorials/archive/v%{uversion}.tar.gz#/%{name}-tutorials-%{uversion}.tar.gz Source2: https://github.com/votca/csg-manual/releases/download/v%{uversion}/votca-csg-manual-%{uversion}.pdf BuildRoot: %{_tmppath}/%{name}-%{version}-build BuildRequires: cmake >= 2.8.4 BuildRequires: fdupes BuildRequires: gcc-c++ BuildRequires: gromacs-devel BuildRequires: hdf5-devel BuildRequires: libboost_filesystem-devel BuildRequires: libboost_program_options-devel BuildRequires: libboost_system-devel BuildRequires: libboost_test-devel BuildRequires: pkg-config #for hdf5 BuildRequires: python3-txt2tags BuildRequires: votca-tools-devel = %{version} BuildRequires: zlib-devel #exact same version is needed Requires: %{name}-common = %{version} Requires: libvotca_csg%sover = %{version} # The developer man page was wrongly shipped in the library package until votca 1.6 Conflicts: libvotca_csg5 %description Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. This package contains the Coarse Graining Engine of VOTCA. %package -n libvotca_csg%sover Summary: Libraries for the VOTCA coarse graining engine Group: System/Libraries %description -n libvotca_csg%sover Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. This package contains libraries for the Coarse Graining Engine of VOTCA. %package devel Summary: Development headers and libraries for the VOTCA Coarse Graining Engine Group: Development/Libraries/C and C++ Requires: %{name} = %{version} Requires: libvotca_csg%sover = %{version} Requires: votca-tools-devel = %{version} %description devel This package contains development headers and libraries for the VOTCA Coarse Graining Engine. %package common Summary: Architecture-independent data files for VOTCA CSG Group: Productivity/Scientific/Chemistry BuildArch: noarch Requires: /usr/bin/awk Requires: bash Requires: perl %description common Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. This package contains the architecture-independent data files for VOTCA CSG. %package tutorials Summary: Tutorial documentation for VOTCA Coarse Graining Engine Group: Productivity/Scientific/Chemistry BuildArch: noarch Requires: /bin/bash %description tutorials Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. This package contains the tutorial documentation and sample data. %package doc Summary: Manual for VOTCA Coarse Graining Engine Group: Documentation/Other BuildArch: noarch %description doc Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. This package contains the PDF manual. %package bash Summary: Bash completion for votca Group: System/Shells Requires: %{name} = %{version} Requires: bash-completion BuildArch: noarch %description bash Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. Iterative methods are implemented using bash + perl. This package contains the bash completion support for votca-csg. %prep %setup -n csg-%{uversion} -q FAKE_BUILDDATE=$(LC_ALL=C date -u -r %{_sourcedir}/%{name}.changes '+%%b %%e %%Y') FAKE_BUILDTIME=$(LC_ALL=C date -u -r %{_sourcedir}/%{name}.changes '+%%H:%%M:%%S') sed -i -e "s/__DATE__/\"$FAKE_BUILDDATE\"/" -e "s/__TIME__/\"$FAKE_BUILDTIME\"/" src/libcsg/version.cc tar -xzf %{S:1} %build %{cmake} -DWITH_RC_FILES=OFF -DCMAKE_SKIP_RPATH:BOOL=OFF -DWITH_H5MD=ON -DWITH_GMX=ON -DENABLE_TESTING=ON -DREGRESSIONTEST_TOLERANCE="2.1e-5" %cmake_build %install %cmake_install sed -i '1s@env @@' %{buildroot}/%{_datadir}/votca/scripts/inverse/cma_processor.py # Move bash completion file to correct location mkdir -p %{buildroot}%{_datadir}/bash_completion.d cp %{buildroot}%{_datadir}/votca/rc/csg-completion.bash %{buildroot}%{_datadir}/bash_completion.d/votca %define pkgdocdir %{_docdir}/%{name} mkdir -p %{buildroot}%{pkgdocdir} cp %{S:2} %{buildroot}%{pkgdocdir} mkdir -p %{buildroot}%{pkgdocdir}/examples cp -r csg-tutorials-%{uversion}/* %{buildroot}%{pkgdocdir}/examples sed -i '1s@env @@' %{buildroot}%{pkgdocdir}/examples/LJ1-LJ2/imc/svd.py %fdupes %{buildroot}%{_prefix} #check make -C build test CTEST_OUTPUT_ON_FAILURE=1 %{?testargs} %post -n libvotca_csg%sover -p /sbin/ldconfig %postun -n libvotca_csg%sover -p /sbin/ldconfig %files %doc CHANGELOG.md NOTICE README.md LICENSE %{_bindir}/csg_* %{_mandir}/man1/* %{_mandir}/man7/* %exclude %{pkgdocdir}/examples %exclude %{pkgdocdir}/*.pdf %files doc %{pkgdocdir}/*.pdf %files tutorials %{pkgdocdir}/examples %files common %{_datadir}/votca %files -n libvotca_csg%sover %doc LICENSE %{_libdir}/libvotca_csg.so.%{sover} %files devel %{_includedir}/votca/csg/ %{_libdir}/libvotca_csg.so %{_libdir}/cmake/VOTCA_CSG %files bash %dir %{_datadir}/bash_completion.d %{_datadir}/bash_completion.d/votca %changelog
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