automatic import of lammps

1 files changed, 36 insertions, 25 deletions

diff --git a/lammps.spec b/lammps.spec
index 6379487..d16853f 100644
--- a/lammps.spec
+++ b/lammps.spec
@@ -210,7 +210,7 @@ for mpi in '' mpich %{?with_openmpi:openmpi} ; do
     -DCMAKE_INSTALL_BINDIR=${MPI_BIN:-%{_bindir}} -DCMAKE_INSTALL_LIBDIR=${MPI_LIB:-%{_libdir}} -DLAMMPS_MACHINE="${MPI_SUFFIX#_}" -DLAMMPS_LIB_SUFFIX="${MPI_SUFFIX#_}" -DCMAKE_INSTALL_MANDIR=${MPI_MAN:-%{_mandir}} \
     ${mpi:+-DBUILD_MPI=ON -DFFT_USE_HEFFTE=ON -DCMAKE_EXE_LINKER_FLAGS="%{__global_ldflags} -Wl,-rpath -Wl,${MPI_LIB} -Wl,--enable-new-dtags" -DCMAKE_SHARED_LINKER_FLAGS="%{__global_ldflags} -Wl,-rpath -Wl,${MPI_LIB} -Wl,--enable-new-dtags" $(test "$mpi" != openmpi || echo "-DMPIEXEC_PREFLAGS=--oversubscribe") } \
     $(test -z "${mpi}" && echo -DBUILD_MPI=OFF -DBUILD_LAMMPS_SHELL=ON -DBUILD_TOOLS=ON)
-  cmake --build . -j64
+  cmake --build . -j8
   test -n "${mpi}" && module unload mpi/${mpi}-%{_arch}
 done
 
@@ -223,45 +223,56 @@ set +e
 set -e
 
 for mpi in '' mpich %{?with_openmpi:openmpi} ; do
-  make install/fast DESTDIR=%{buildroot}
+  %make_install -C build
 done
 
-cd python
-%py3_install
+install -Dm 0755 %{buildroot}/build/lmp %{buildroot}%{_bindir}/lmp
+install -Dm 0755 %{buildroot}/build/msi2lmp %{buildroot}%{_bindir}/msi2lmp
+install -Dm 0755 %{buildroot}/build/binary2txt %{buildroot}%{_bindir}/binary2txt
+install -Dm 0755 %{buildroot}/build/chain.x %{buildroot}%{_bindir}/chain.x
+install -Dm 0755 %{buildroot}/build/micelle2d.x %{buildroot}%{_bindir}/micelle2d.x
+install -Dm 0755 %{buildroot}/build/stl_bin2txt %{buildroot}%{_bindir}/stl_bin2txt
+install -Dm 0755 %{buildroot}/build/phana %{buildroot}%{_bindir}/phana
 
-%check
-cd build 
-%global testargs --label-exclude unstable --exclude-regex '\(SimpleCommands\|Variables\|ComputeGlobal\|MolPairStyle:coul_slater_long\|AtomicPairStyle:meam_spline\|FixTimestep:.*\|.*tip4p.*\)'
+for file in %{buildroot}/build/liblammps.so.*; do
+    install -Dm 0755 "$file" %{buildroot}%{_libdir}/$(basename "$file")
+done
 
-%ifnarch %ix86
-%global testargs --label-exclude unstable --exclude-regex '\(SimpleCommands\|Variables\|ComputeGlobal\|MolPairStyle:coul_slater_long\|AtomicPairStyle:meam_spline\|FixTimestep:.*\|.*tip4p.*\|Groups\|AtomicPairStyle:lj_cut_sphere\|AtomicPairStyle:lj_expand_sphere\|AtomicPairStyle:meam_ms\|AtomicPairStyle:pedone\|DihedralStyle:cosine_squared_restricted\|BondStyle:harmonic_restrain\)'
-%endif
+mkdir -p %{buildroot}%{_libdir}/pkgconfig
+install -Dm 0644 liblammps.pc %{buildroot}%{_libdir}/pkgconfig/liblammps.pc
+install -Dm 0644 %{buildroot}/build/man/lmp.1 %{buildroot}%{_mandir}/man1/lmp.1
 
-%ifarch s390x
-%global testargs --label-exclude unstable --exclude-regex '\(SimpleCommands\|Variables\|ComputeGlobal\|MolPairStyle:coul_slater_long\|AtomicPairStyle:meam_spline\|FixTimestep:.*\|.*tip4p.*\|LibraryMPI\|MPILoadBalancing\|FileOperations\|Groups\|SetProperty\|AtomicPairStyle:lj_cut_sphere\|AtomicPairStyle:lj_expand_sphere\|AtomicPairStyle:meam_ms\|AtomicPairStyle:pedone\|DihedralStyle:cosine_squared_restricted\|BondStyle:harmonic_restrain\|TestPairList\)'
-%endif
+mkdir -p %{buildroot}%{_libdir}/cmake/LAMMPS
+cp -a %{_libdir}/openmpi*/lib/cmake/LAMMPS %{buildroot}%{_libdir}/cmake/LAMMPS
 
-set +e
-. /etc/profile.d/modules.sh
-set -e
+mkdir -p %{buildroot}%{_libdir}/mpich/lib/pkgconfig/
+install -Dm 0755 liblammps_mpich.so %{buildroot}%{_libdir}/liblammps_mpich.so
+install -Dm 0644 liblammps_mpich.pc %{buildroot}%{_libdir}/mpich*/lib/pkgconfig/liblammps_mpich.pc
 
-for mpi in '' mpich %{?with_openmpi:openmpi} ; do
-  old_PYTHONPATH="${PYTHONPATH}"
-  test -n "${mpi}" && module load mpi/${mpi}-%{_arch} && export PYTHONPATH="${MPI_PYTHON3_SITEARCH}:${PYTHONPATH}"
-  %ctest --output-on-failure %{?testargs} || true
-  test -n "${mpi}" && module unload mpi/${mpi}-%{_arch} && export PYTHONPATH="${old_PYTHONPATH}"
+mkdir -p %{_libdir}/mpich/lib/cmake/LAMMPS
+cp -a %{_libdir}/openmpi*/lib/cmake/LAMMPS %{_libdir}/mpich*/lib/cmake/LAMMPS
+
+mkdir -p %{buildroot}%{_libdir}/mpich/bin
+install -Dm 0755 %{buildroot}/build/lmp_mpich %{buildroot}%{_libdir}/mpich*/bin/lmp_mpich
+
+for file in %{buildroot}/build/liblammps_mpich.so.*; do
+    install -Dm 0755 "$file" %{_libdir}/mpich/lib/$(basename "$file")
 done
 
-%ldconfig_scriptlets
+rm -rf %{buildroot}/build/phana_build
+
+cd python
+%py3_install
+
 
 %files
 %doc README
 %license LICENSE
 %{_bindir}/lmp
-%{_mandir}/man1/lmp.*
+%{_mandir}/openmpi-%{_arch}/man1/lmp*
 %{_libdir}/liblammps.so.*
 %{_bindir}/msi2lmp
-%{_mandir}/man1/msi2lmp.*
+%{_mandir}/openmpi-%{_arch}/man1/msi2lmp.*
 %{_bindir}/binary2txt
 %{_bindir}/chain.x
 %{_bindir}/micelle2d.x
@@ -297,7 +308,7 @@ done
 %files openmpi
 %license LICENSE
 %{_libdir}/openmpi*/bin/lmp_openmpi
-%{_mandir}/openmpi*/man1/lmp_openmpi.*
+%{_mandir}/openmpi-%{_arch}/man1/lmp_openmpi.*
 %{_libdir}/openmpi*/lib/liblammps_openmpi.so.*
 %endif