[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 #14 from Antonio Trande <anto.trande@xxxxxxxxx> ---
(In reply to Christoph Junghans from comment #13)
> I saw that before for other mpi-enabled packages, if I recall correctly mock
> has no support for mpi and hence doesn't do a "module load
> mpi/openmpi-x86_64", which would prepend /usr/lib64/openmpi/lib to
> LD_LIBRARY_PATH (see module show "mpi/openmpi-x86_64") and fix the above
> issue. rpath aren't allowed for mpi packages either, so I am not sure how
> you want to fix.
> 
> And setting CXX and friends won't change anything as mpicxx is internally
> just adding the same include paths and libraries to the flags:
> $ mpicxx --showme
> g++ -I/usr/include/openmpi-x86_64 -pthread -Wl,-rpath
> -Wl,/usr/lib64/openmpi/lib -Wl,--enable-new-dtags -L/usr/lib64/openmpi/lib
> -lmpi_cxx -lmpi

All MPI files are compiled with MPI compilers as required by the guidelines;
Sundials MPI libraries for example do not need to load any module in Mock:

$ mock --no-clean -r fedora-rawhide-x86_64 --shell 'ldd
/usr/lib64/openmpi/lib/libsundials_nvecparallel.so.2'
Start: shell
    linux-vdso.so.1 (0x00007fff9e309000)
    libm.so.6 => /lib64/libm.so.6 (0x00007fa6b2969000)
    libpthread.so.0 => /lib64/libpthread.so.0 (0x00007fa6b274a000)
    libgomp.so.1 => /lib64/libgomp.so.1 (0x00007fa6b251b000)
    libklu.so.1 => /lib64/libklu.so.1 (0x00007fa6b22e6000)
    libHYPRE.so.0.0 => /usr/lib64/openmpi/lib/libHYPRE.so.0.0
(0x00007fa6b1c62000)
    libmpi.so.20 => /usr/lib64/openmpi/lib/libmpi.so.20 (0x00007fa6b195f000)
    libc.so.6 => /lib64/libc.so.6 (0x00007fa6b157a000)
    /lib64/ld-linux-x86-64.so.2 (0x0000558ae39ba000)
    libdl.so.2 => /lib64/libdl.so.2 (0x00007fa6b1376000)
    libamd.so.2 => /lib64/libamd.so.2 (0x00007fa6b116a000)
    libcolamd.so.2 => /lib64/libcolamd.so.2 (0x00007fa6b0f62000)
    libbtf.so.1 => /lib64/libbtf.so.1 (0x00007fa6b0d5e000)
    libsuitesparseconfig.so.4 => /lib64/libsuitesparseconfig.so.4
(0x00007fa6b0b59000)
    libopenblas.so.0 => /lib64/libopenblas.so.0 (0x00007fa6ae77a000)
    libstdc++.so.6 => /lib64/libstdc++.so.6 (0x00007fa6ae3f2000)
    libsuperlu.so.5.1 => /lib64/libsuperlu.so.5.1 (0x00007fa6ae17a000)
    libmpi_cxx.so.20 => /usr/lib64/openmpi/lib/libmpi_cxx.so.20
(0x00007fa6adf5f000)
    libgcc_s.so.1 => /lib64/libgcc_s.so.1 (0x00007fa6add48000)
    libopen-rte.so.20 => /usr/lib64/openmpi/lib/libopen-rte.so.20
(0x00007fa6adabc000)
    libopen-pal.so.20 => /usr/lib64/openmpi/lib/libopen-pal.so.20
(0x00007fa6ad808000)
    librt.so.1 => /lib64/librt.so.1 (0x00007fa6ad600000)
    libutil.so.1 => /lib64/libutil.so.1 (0x00007fa6ad3fd000)
    libhwloc.so.5 => /lib64/libhwloc.so.5 (0x00007fa6ad1c1000)
    libgfortran.so.4 => /lib64/libgfortran.so.4 (0x00007fa6acde5000)
    libsatlas.so.3 => /usr/lib64/atlas/libsatlas.so.3 (0x00007fa6abfea000)
    libnuma.so.1 => /lib64/libnuma.so.1 (0x00007fa6abddf000)
    libltdl.so.7 => /lib64/libltdl.so.7 (0x00007fa6abbd5000)
    libquadmath.so.0 => /lib64/libquadmath.so.0 (0x00007fa6ab995000)

Understand your doubts, so you can also ask any better clarification on devel
mailing list.

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