automatic import of lammps

1 files changed, 24 insertions, 17 deletions

diff --git a/lammps.spec b/lammps.spec
index 94b1fcb..41bc599 100644
--- a/lammps.spec
+++ b/lammps.spec
@@ -181,7 +181,6 @@ mkdir build && cd build
 for mpi in '' mpich %{?with_openmpi:openmpi} ; do
   test -n "${mpi}" && module load mpi/${mpi}-%{_arch}
   #python wrapper isn't mpi specific
-  MPI_SUFFIX=${mpi:+_$mpi}
   %cmake3 ../cmake \
   -C ../cmake/presets/all_on.cmake \
   -C ../cmake/presets/nolib.cmake \
@@ -210,13 +209,9 @@ for mpi in '' mpich %{?with_openmpi:openmpi} ; do
 %endif
     -DCMAKE_INSTALL_BINDIR=%{_bindir} \
     -DCMAKE_INSTALL_LIBDIR=%{_libdir} \
-    -DCMAKE_INSTALL_MANDIR=%{_mandir} \ 
-    -DLAMMPS_MACHINE=${MPI_SUFFIX#_:-default} \
-    -DLAMMPS_LIB_SUFFIX=${MPI_SUFFIX#_:-default} \
-    ${mpi:+-DBUILD_MPI=ON -DFFT_USE_HEFFTE=ON \
-    -DCMAKE_EXE_LINKER_FLAGS="%{__global_ldflags} -Wl,-rpath -Wl,${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") } \
+    -DLAMMPS_MACHINE="${MPI_SUFFIX#_}" -DLAMMPS_LIB_SUFFIX="${MPI_SUFFIX#_}" \
+    -DCMAKE_INSTALL_MANDIR=%{_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
   test -n "${mpi}" && module unload mpi/${mpi}-%{_arch}
@@ -226,25 +221,26 @@ cd ../python
 %py3_build
 
 %install
+cd build
 set +e
 . /etc/profile.d/modules.sh
 set -e
 
 for mpi in '' mpich %{?with_openmpi:openmpi} ; do
-  %make_install -C build
+  %make_install
 done
 
-cd python
+cd ../python
 %py3_install
 
 %files
 %doc README
 %license LICENSE
 %{_bindir}/lmp
-%{_mandir}/openmpi-%{_arch}/man1/lmp*
+%{_mandir}/man1/lmp.*
 %{_libdir}/liblammps.so.*
 %{_bindir}/msi2lmp
-%{_mandir}/openmpi-%{_arch}/man1/msi2lmp.*
+%{_mandir}/man1/msi2lmp.*
 %{_bindir}/binary2txt
 %{_bindir}/chain.x
 %{_bindir}/micelle2d.x
@@ -268,9 +264,7 @@ cd python
 %{_libdir}/mpich*/lib/pkgconfig/liblammps_mpich.pc
 %{_libdir}/mpich*/lib/cmake/LAMMPS
  
-%files -n python3-%{name}
-%{python3_sitelib}/lammps
-%{python3_sitelib}/lammps-*.egg-info
+%files -n python%{python3_pkgversion}-%{name} -f %{pyproject_files}
  
 %files headers
 %license LICENSE
@@ -280,10 +274,23 @@ cd python
 %files openmpi
 %license LICENSE
 %{_libdir}/openmpi*/bin/lmp_openmpi
-%{_mandir}/openmpi-%{_arch}/man1/lmp_openmpi.*
+%{_mandir}/openmpi*/man1/lmp_openmpi.*
 %{_libdir}/openmpi*/lib/liblammps_openmpi.so.*
 %endif
-
+ 
+%if 0%{?el7}
+%files openmpi3
+%license LICENSE
+%{_libdir}/openmpi3*/bin/lmp_openmpi3
+%{_mandir}/openmpi3*/man1/lmp_openmpi3.*
+%{_libdir}/openmpi3*/lib/liblammps_openmpi3.so.*
+ 
+%files openmpi3-devel
+%{_libdir}/openmpi3*/lib/liblammps_openmpi3.so
+%{_libdir}/openmpi3*/lib/pkgconfig/liblammps_openmpi3.pc
+%{_libdir}/openmpi3/lib/cmake/LAMMPS
+%endif
+ 
 %files mpich
 %license LICENSE
 %{_libdir}/mpich*/bin/lmp_mpich