[Bug 1474958] Review Request: lammps - Large-scale Atomic/ Molecular Massively Parallel Simulator

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https://bugzilla.redhat.com/show_bug.cgi?id=1474958



--- Comment #8 from Antonio Trande <anto.trande@xxxxxxxxx> ---
Okay.

- Another issue: MPI libraries and binary files are not compiled with related
MPI compilers. Use

export CC=mpicc
export CXX=mpicxx
export FC=mpif90
export F77=mpif77

before running '%cmake ...' commands; so

cd openmpi
%{_openmpi_load}
export CC=mpicc
export CXX=mpicxx
export FC=mpif90
export F77=mpif77
%{cmake3} \
  %{defopts} \
  -DENABLE_MPI=ON \
  -DENABLE_MPIIO=ON \
  -DCMAKE_INSTALL_BINDIR=$MPI_BIN \
  -DCMAKE_INSTALL_LIBDIR=$MPI_LIB \
  ../cmake
%make_build
%{_openmpi_unload}
cd ..

- Use 'Requires: openmpi' and 'Requires: mpich' for related lammps-*mpi*
packages.

- Add python_provide macro to the Python sub-package
https://fedoraproject.org/wiki/Packaging:Python#Provides

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