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openSUSE:Backports:SLE-15-SP3:Update
python3-espressomd
python3-espressomd.spec
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File python3-espressomd.spec of Package python3-espressomd
# # spec file for package python3-espressomd # # Copyright (c) 2018 SUSE LINUX GmbH, Nuernberg, Germany. # Copyright (c) 2014 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/ # %define mpi_implem openmpi2 %ifarch ppc64 %define mpi_implem openmpi %endif %if 0%{?sle_version} == 120300 && 0%{?is_opensuse} %define mpi_implem openmpi %endif %if 0%{?sle_version} == 120400 && !0%{?is_opensuse} %define mpi_implem openmpi %endif %define pkgname espresso %define modname %{pkgname}md %define sonum 4 Name: python3-%{modname} Version: 4.0.1 Release: 0 Summary: Parallel simulation software for soft matter research License: GPL-3.0-or-later Group: Productivity/Scientific/Chemistry URL: http://espressomd.org Source: https://github.com/%{modname}/%{pkgname}/releases/download/%{version}/%{pkgname}-%{version}.tar.gz BuildRequires: cmake BuildRequires: fftw3-devel BuildRequires: gcc-c++ # Currently libboost_mpi-devel and hdf5 use different mpi versions # BuildRequires: hdf5-devel BuildRequires: gsl-devel BuildRequires: %{mpi_implem}-devel BuildRequires: python3-Cython BuildRequires: python3-devel BuildRequires: python3-numpy-devel %if 0%{?suse_version} > 1325 BuildRequires: libboost_filesystem-devel BuildRequires: libboost_mpi-devel BuildRequires: libboost_system-devel BuildRequires: libboost_test-devel %else BuildRequires: boost-devel %endif %description ESPResSo is a highly versatile software package for performing and analyzing scientific Molecular Dynamics many-particle simulations of coarse-grained atomistic or bead-spring models as they are used in soft-matter research in physics, chemistry and molecular biology. It can be used to simulate systems such as polymers, liquid crystals, colloids, ferrofluids and biological systems, for example DNA and lipid membranes. %package -n libEspresso%{sonum} Summary: Shared libraries for ESPResSo Group: System/Libraries %description -n libEspresso%{sonum} This package provides shared libraries for ESPResSo. %prep %setup -q -n %{pkgname}-%{version} %build source %{_libdir}/mpi/gcc/%{mpi_implem}/bin/mpivars.sh # overwrite .so linker flags on SUSE distros: drop --no-undefined # we don't install {i,}pypresso scripts as they aren't needed when installing in /usr %cmake \ '-DCMAKE_SHARED_LINKER_FLAGS=-Wl,--as-needed -Wl,-z,now' \ -DLIBDIR=%{_lib} \ -DPYTHON_EXECUTABLE=%{_bindir}/python3 \ -DINSTALL_PYPRESSO=OFF make %{?_smp_mflags} %install make -C build install DESTDIR=%{buildroot} find %{buildroot}%{_prefix} -name "*.so" -exec chmod +x {} \; find %{buildroot}%{_prefix} -name "gen_pxiconfig" -exec chmod +x {} \; # no devel package rm -f %{buildroot}%{_libdir}/lib*.so %check # https://github.com/espressomd/espresso/issues/2468 %ifarch ppc64 ppc64le %global testargs ARGS='-E npt' %endif # https://github.com/espressomd/espresso/issues/2469 %ifarch aarch64 %global testargs ARGS='-E analyze_gyration_tensor' %endif LD_LIBRARY_PATH='%{buildroot}/%{_libdir}::%{_libdir}/mpi/gcc/%{mpi_implem}/%{_lib}' make -C build check CTEST_OUTPUT_ON_FAILURE=1 %{?testargs:%{testargs}} %post -n libEspresso%{sonum} -p /sbin/ldconfig %postun -n libEspresso%{sonum} -p /sbin/ldconfig %files %license COPYING %doc README AUTHORS NEWS ChangeLog %{python3_sitearch}/espressomd %files -n libEspresso%{sonum} %license COPYING %{_libdir}/libEspressoCore.so.%{sonum} %{_libdir}/libActor.so.%{sonum} %{_libdir}/libImmersedBoundary.so.%{sonum} %{_libdir}/libObjectInFluid.so.%{sonum} %{_libdir}/libAccumulators.so.%{sonum} %{_libdir}/libConstraints.so.%{sonum} %{_libdir}/libEspressoConfig.so.%{sonum} %{_libdir}/libEspressoScriptInterface.so.%{sonum} %{_libdir}/libObservables.so.%{sonum} %{_libdir}/libShapes.so.%{sonum} %{_libdir}/libVirtualSites.so.%{sonum} %{_libdir}/libcluster_analysis.so.%{sonum} %changelog
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