diff options
| author | CoprDistGit <infra@openeuler.org> | 2024-12-17 12:36:22 +0000 |
|---|---|---|
| committer | CoprDistGit <infra@openeuler.org> | 2024-12-17 12:36:22 +0000 |
| commit | 84d4fc1f78abc8efdf04abf57efdfcdd5996df95 (patch) | |
| tree | 9b66b66718642ef558b877fdbdfcc89ab075b455 /lammps.spec | |
| parent | 1cae771b98ff08ee7a40bcfc6dd2acec2dd777bd (diff) | |
automatic import of lammps
Diffstat (limited to 'lammps.spec')
| -rw-r--r-- | lammps.spec | 9 |
1 files changed, 2 insertions, 7 deletions
diff --git a/lammps.spec b/lammps.spec index 10bc267..67ab601 100644 --- a/lammps.spec +++ b/lammps.spec @@ -174,9 +174,8 @@ BuildRequires: python3-build cp %{SOURCE5} cmake/ %build -set +e . /etc/profile.d/modules.sh -set -e + for mpi in '' mpich %{?with_openmpi:openmpi} ; do test -n "${mpi}" && module load mpi/${mpi}-%{_arch} if [ -z "$mpi" ]; then @@ -222,7 +221,7 @@ for mpi in '' mpich %{?with_openmpi:openmpi} ; do -DCMAKE_INSTALL_BINDIR=${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} cd .. done @@ -231,9 +230,7 @@ cd python %py3_build %install -set +e . /etc/profile.d/modules.sh -set -e for mpi in '' mpich %{?with_openmpi:openmpi} ; do if [ -z "$mpi" ]; then @@ -259,9 +256,7 @@ cd python %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 -set +e . /etc/profile.d/modules.sh -set -e for mpi in '' mpich %{?with_openmpi:openmpi} %{?el7:openmpi3} ; do old_PYTHONPATH="${PYTHONPATH}" |