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Diffstat (limited to 'espresso/espresso.spec')
| -rw-r--r-- | espresso/espresso.spec | 320 |
1 files changed, 0 insertions, 320 deletions
diff --git a/espresso/espresso.spec b/espresso/espresso.spec deleted file mode 100644 index 9025402..0000000 --- a/espresso/espresso.spec +++ /dev/null @@ -1,320 +0,0 @@ -%global git 1 -%global commit 8a021f5e8b1d508f356f4419d360bd9dfb7fec2c -%global shortcommit %(c=%{commit}; echo ${c:0:7}) - -%if 0%{?fedora} > 12 || 0%{?rhel} > 6 -%global with_python3 1 -%else -%{!?python_sitearch: %global python_sitearch %(%{__python} -c "from distutils.sysconfig import get_python_lib; print get_python_lib(1)")} -%endif - -### TESTSUITE ### -# The testsuite currently fails only on the buildsystem, but works localy. -# So to easy enable/disable the testsuite, I introduce the following -# variables: -# -# * MPICH: if '1' enable mpich -# * OPENMPI: if '1' enable openmpi -%global MPICH 0 -%global OPENMPI 0 - -Name: espresso -Version: 4.0 -Release: 0.2.20170228git%{shortcommit}%{?dist} -Summary: Extensible Simulation Package for Research on Soft matter - -License: GPLv3+ -URL: http://espressomd.org -%if %{git} -Source0: https://github.com/%{name}md/%{name}/archive/%{commit}/%{name}-%{commit}.tar.gz -%else -Source0: http://download.savannah.gnu.org/releases/espressomd/espresso-%{version}.tar.gz -%endif -# PATCH-FIX-UPSTREAM - 1056.patch - fix install -Patch0: https://patch-diff.githubusercontent.com/raw/espressomd/espresso/pull/1056.patch - - -BuildRequires: cmake -BuildRequires: Cython -BuildRequires: fftw-devel -BuildRequires: numpy -BuildRequires: python-devel -BuildRequires: boost-devel -BuildRequires: mpich-devel -BuildRequires: boost-mpich-devel -BuildRequires: openmpi-devel -BuildRequires: boost-openmpi-devel - -Requires: numpy -Requires: %{name}-common = %{version}-%{release} - -%description -ESPResSo can perform Molecular Dynamics simulations of bead-spring models -in various ensembles ((N,V,E), (N,V,T), and (N,p,T)). -ESPResSo contains a number of advanced algorithms, e.g. - * DPD thermostat (for hydrodynamics) - * P3M, MMM2D, MMM1D, ELC for electrostatic interactions - * Lattice-Boltzmann for hydrodynamics - -%package common -Summary: Common files for %{name} packages -BuildArch: noarch -Requires: %{name}-common = %{version}-%{release} -%description common -ESPResSo can perform Molecular Dynamics simulations of bead-spring models -in various ensembles ((N,V,E), (N,V,T), and (N,p,T)). -ESPResSo contains a number of advanced algorithms, e.g. - * DPD thermostat (for hydrodynamics) - * P3M, MMM2D, MMM1D, ELC for electrostatic interactions - * Lattice-Boltzmann for hydrodynamics -This package contains the license file and data files shared between the -sub-packages of %{name}. - -%package devel -Summary: Development package for %{name} packages -Requires: python2-%{name}-openmpi = %{version}-%{release} -Requires: python2-%{name}-mpich = %{version}-%{release} -%description devel -ESPResSo can perform Molecular Dynamics simulations of bead-spring models -in various ensembles ((N,V,E), (N,V,T), and (N,p,T)). -ESPResSo contains a number of advanced algorithms, e.g. - * DPD thermostat (for hydrodynamics) - * P3M, MMM2D, MMM1D, ELC for electrostatic interactions - * Lattice-Boltzmann for hydrodynamics -This package contains the development libraries of %{name}. - -%package -n python2-%{name}-openmpi -Requires: %{name}-common = %{version}-%{release} -Summary: Extensible Simulation Package for Research on Soft matter -Provides: %{name}-openmpi = %{version}-%{release} -Obsoletes: %{name}-openmpi < 3.3.0-12 -%description -n python2-%{name}-openmpi -ESPResSo can perform Molecular Dynamics simulations of bead-spring models -in various ensembles ((N,V,E), (N,V,T), and (N,p,T)). -ESPResSo contains a number of advanced algorithms, e.g. - * DPD thermostat (for hydrodynamics) - * P3M, MMM2D, MMM1D, ELC for electrostatic interactions - * Lattice-Boltzmann for hydrodynamics - -This package contains %{name} compiled against Open MPI. - - -%package -n python2-%{name}-mpich -Requires: %{name}-common = %{version}-%{release} -Summary: Extensible Simulation Package for Research on Soft matter -Provides: %{name}-mpich2 = %{version}-%{release} -Obsoletes: %{name}-mpich2 < 3.1.1-3 -Provides: %{name}-mpich = %{version}-%{release} -Obsoletes: %{name}-mpich < 3.3.0-12 -%description -n python2-%{name}-mpich -ESPResSo can perform Molecular Dynamics simulations of bead-spring models -in various ensembles ((N,V,E), (N,V,T), and (N,p,T)). -ESPResSo contains a number of advanced algorithms, e.g. - * DPD thermostat (for hydrodynamics) - * P3M, MMM2D, MMM1D, ELC for electrostatic interactions - * Lattice-Boltzmann for hydrodynamics - -This package contains %{name} compiled against MPICH2. - - -%prep -%if %{git} -%setup -q -n espresso-%{commit} -%else -%setup -q -%endif -%patch0 -p1 -find . -name "*.[ch]pp" -exec chmod -x {} \; -chmod -x AUTHORS COPYING README NEWS ChangeLog -mkdir openmpi_build mpich_build - -%build -%global defopts \\\ - -DWITH_PYTHON=ON \\\ - -DWITH_TESTS=ON \\\ - -DWITH_SCAFACOS=ON \\\ - -DCMAKE_SKIP_RPATH:BOOL=ON \\\ - -DCMAKE_SKIP_BUILD_RPATH:BOOL=ON \\\ - -DINSTALL_PYPRESSO=OFF - -# Build OpenMPI version -#see #756141 to understand why MPI_C_LIBRARIES needs to be set -%{_openmpi_load} -pushd openmpi_build -%{cmake} \ - %{defopts} \ - -DLIBDIR=${MPI_LIB} \ - -DPYTHON_INSTDIR=${MPI_PYTHON2_SITEARCH} \ - -DMPI_C_LIBRARIES=${MPI_LIB}/libmpi.so \ - .. -%make_build -popd -%{_openmpi_unload} - -# Build mpich version -%{_mpich_load} -pushd mpich_build -%{cmake} \ - %{defopts} \ - -DLIBDIR=${MPI_LIB} \ - -DPYTHON_INSTDIR=${MPI_PYTHON2_SITEARCH} \ - -DMPI_C_LIBRARIES=${MPI_LIB}/libmpi.so \ - .. -%make_build -popd -%{_mpich_unload} - -%install -# first install mpi files and move around because MPI_SUFFIX above doesn't -# work yet (will be fixed in a new version) -%{_openmpi_load} -pushd openmpi_build -%make_install -popd -%{_openmpi_unload} - -%{_mpich_load} -pushd mpich_build -%make_install -popd -%{_mpich_unload} -find %{buildroot}%{_prefix} -name "*.so" -exec chmod +x {} \; -find %{buildroot}%{_prefix} -name "gen_pxiconfig" -exec chmod +x {} \; - -%check -# test openmpi? -%if 0%{?OPENMPI} -%{_openmpi_load} -pushd openmpi_build -make check || cat testsuite/runtest.log || : -popd -%{_openmpi_unload} -%endif - -# test mpich? -%if 0%{?MPICH} -%{_mpich_load} -pushd mpich_build -make check || cat testsuite/runtest.log || : -popd -%{_mpich_unload} -%endif - -%files common -%doc AUTHORS README NEWS ChangeLog -%license COPYING - -%files devel -%{_libdir}/*/lib/lib*.so - -%files -n python2-%{name}-openmpi -%{_libdir}/openmpi/lib/lib*.so.* -%{python_sitearch}/openmpi/%{name}md - -%files -n python2-%{name}-mpich -%{_libdir}/mpich/lib/lib*.so.* -%{python_sitearch}/mpich/%{name}md - -%changelog -* Sun Mar 05 2017 Christoph Junghans <junghans@votca.org> - 4.0-0.2.20170228git8a021f5 -- Dropped 1042.patch, merged upstream -- Add 1056.patch to fix install - -* Thu Feb 16 2017 Christoph Junghans <junghans@votca.org> - 4.0-0.1.20170220git7a9ac74 -- Bump to version 4.0 git version -- Drop cypthon patch, incl. upstream -- Add 1042.patch from upstream - -* Fri Feb 10 2017 Fedora Release Engineering <releng@fedoraproject.org> - 3.3.0-11 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_26_Mass_Rebuild - -* Fri Oct 21 2016 Orion Poplawski <orion@cora.nwra.com> - 3.3.0-10 -- Rebuild for openmpi 2.0 - -* Wed Feb 03 2016 Fedora Release Engineering <releng@fedoraproject.org> - 3.3.0-9 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_24_Mass_Rebuild - -* Tue Sep 15 2015 Orion Poplawski <orion@cora.nwra.com> - 3.3.0-8 -- Rebuild for openmpi 1.10.0 - -* Sat Aug 15 2015 Zbigniew Jędrzejewski-Szmek <zbyszek@in.waw.pl> - 3.3.0-7 -- Rebuild for MPI provides - -* Sun Jul 26 2015 Sandro Mani <manisandro@gmail.com> - 3.3.0-6 -- Rebuild for RPM MPI Requires Provides Change - -* Wed Jun 17 2015 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.3.0-5 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_23_Mass_Rebuild - -* Sat May 02 2015 Kalev Lember <kalevlember@gmail.com> - 3.3.0-4 -- Rebuilt for GCC 5 C++11 ABI change - -* Thu Mar 12 2015 Thomas Spura <tomspur@fedoraproject.org> - 3.3.0-3 -- Rebuild for changed mpich libraries -- Added patch for building with cython-0.22 -- Remove group tag - -* Sat Aug 16 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.3.0-2 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_22_Mass_Rebuild - -* Mon Aug 11 2014 Thomas Spura <tomspur@fedoraproject.org> - 3.3.0-1 -- update to 3.3.0 - -* Sat Jun 07 2014 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.2.0-4 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_21_Mass_Rebuild - -* Wed May 28 2014 Thomas Spura <tomspur@fedoraproject.org> - 3.2.0-3 -- Rebuilt for https://fedoraproject.org/wiki/Changes/f21tcl86 - -* Sun May 25 2014 Thomas Spura <tomspur@fedoraproject.org> - 3.2.0-2 -- run autoreconf in %%build to support aarch64 - -* Sat May 24 2014 Thomas Spura <tomspur@fedoraproject.org> - 3.2.0-1 -- update to 3.2.0 - -* Wed May 21 2014 Jaroslav Škarvada <jskarvad@redhat.com> - 3.1.1-6 -- Rebuilt for https://fedoraproject.org/wiki/Changes/f21tcl86 - -* Sat Feb 22 2014 Deji Akingunola <dakingun@gmail.com> - 3.1.1-5 -- Rebuild for mpich-3.1 - -* Sat Aug 03 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.1.1-4 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_20_Mass_Rebuild - -* Sat Jul 20 2013 Deji Akingunola <dakingun@gmail.com> - 3.1.1-3 -- Rename mpich2 sub-packages to mpich and rebuild for mpich-3.0 - -* Wed Feb 13 2013 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.1.1-2 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_19_Mass_Rebuild - -* Wed Nov 14 2012 Thomas Spura <tomspur@fedoraproject.org> - 3.1.1-1 -- rebuild for newer mpich2 -- update to new version -- disable tk per upstream request -- drop patch - -* Thu Jul 19 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.0.2-4 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_18_Mass_Rebuild - -* Fri Jan 13 2012 Fedora Release Engineering <rel-eng@lists.fedoraproject.org> - 3.0.2-3 -- Rebuilt for https://fedoraproject.org/wiki/Fedora_17_Mass_Rebuild - -* Wed Oct 26 2011 Thomas Spura <tomspur@fedoraproject.org> - 3.0.2-2 -- add missing BR autoconf/automake -- use _isa where possible -- use general tclsh shebang -- build --with-tk - -* Thu Oct 6 2011 Thomas Spura <tomspur@fedoraproject.org> - 3.0.2-1 -- update to new version -- introduce configure_mpi - -* Sun Sep 25 2011 Thomas Spura <tomspur@fedoraproject.org> - 3.0.1-3 -- use correct MPI_SUFFIX -- don't install library as upstream doesn't support it anymore - -* Sun Sep 25 2011 Thomas Spura <tomspur@fedoraproject.org> - 3.0.1-2 -- correctly install into _libdir/openmpi and not _libdir/name-openmpi - -* Fri Sep 16 2011 Thomas Spura <tomspur@fedoraproject.org> - 3.0.1-1 -- initial packaging |