automatic import of lammps

1 files changed, 7 insertions, 9 deletions

diff --git a/lammps.spec b/lammps.spec
index 67ab601..b0fbea3 100644
--- a/lammps.spec
+++ b/lammps.spec
@@ -174,7 +174,9 @@ 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}
@@ -184,14 +186,6 @@ for mpi in '' mpich %{?with_openmpi:openmpi} ; do
     mkdir build-${mpi} && cd build-${mpi}
   fi
   #python wrapper isn't mpi specific
-for mpi in '' mpich %{?with_openmpi:openmpi} ; do
-  test -n "${mpi}" && module load mpi/${mpi}-%{_arch}
-  if [ -z "$mpi" ]; then
-    mkdir build && cd build
-  else
-    mkdir build-${mpi} && cd build-${mpi}
-  fi
-  #python wrapper isn't mpi specific
   %{cmake3} ../cmake \
   -C ../cmake/presets/all_on.cmake \
   -C ../cmake/presets/nolib.cmake \
@@ -221,7 +215,7 @@ for mpi in '' mpich %{?with_openmpi:openmpi} ; do
     -DCMAKE_INSTALL_BINDIR=${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 . -j8
+    cmake --build . -j64
   test -n "${mpi}" && module unload mpi/${mpi}-%{_arch}
   cd ..
 done
@@ -230,7 +224,9 @@ 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
@@ -256,7 +252,9 @@ 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}"