[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 #9 from Christoph Junghans <junghans@xxxxxxxxx> ---
(In reply to Antonio Trande from comment #8)
> 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 ..
I think that is not needed, LAMMPS's cmake uses find_package(MPI) and then
injects the MPI include dir (e.g. -I/usr/include/openmpi-x86_64) and the MPI
library (e.g. /usr/lib64/openmpi/lib/libmpi_cxx.so) automatically.

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

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

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