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| author | CoprDistGit <infra@openeuler.org> | 2024-12-18 09:29:18 +0000 |
|---|---|---|
| committer | CoprDistGit <infra@openeuler.org> | 2024-12-18 09:29:18 +0000 |
| commit | 6ee82b0a6561b3534ddca7e56cd115951ca1d532 (patch) | |
| tree | a88bf65682a9f6ce1c62459dec6a84a160cb4baf /lammps.spec | |
| parent | e2277a7be84d9b25876bf174cb4164c48f3fea3e (diff) | |
automatic import of lammps
Diffstat (limited to 'lammps.spec')
| -rw-r--r-- | lammps.spec | 32 |
1 files changed, 32 insertions, 0 deletions
diff --git a/lammps.spec b/lammps.spec index 15de85d..bcf00bd 100644 --- a/lammps.spec +++ b/lammps.spec @@ -239,6 +239,38 @@ done cd python %py3_install +%check + +%global testargs --label-exclude unstable --exclude-regex '\(SimpleCommands\|Variables\|ComputeGlobal\|MolPairStyle:coul_slater_long\|AtomicPairStyle:meam_spline\|FixTimestep:.*\|.*tip4p.*\)' + +%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 + +%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 + +set +e +. /etc/profile.d/modules.sh +set -e + +for mpi in '' mpich %{?with_openmpi:openmpi} %{?el7:openmpi3} ; do + old_PYTHONPATH="${PYTHONPATH}" + test -n "${mpi}" && module load mpi/${mpi}-%{_arch} && export PYTHONPATH="${MPI_PYTHON3_SITEARCH}:${PYTHONPATH}" + if [ -z "$mpi" ]; then + cd build + ctest %{?testargs} || true + else + cd build-${mpi} + ctest %{?testargs} || true + fi + cd .. + test -n "${mpi}" && module unload mpi/${mpi}-%{_arch} && export PYTHONPATH="${old_PYTHONPATH}" +done + +%ldconfig_scriptlets + %files %doc README %license LICENSE |