[Bug 464424] Review Request: GROMACS - a Molecular Dynamics package

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https://bugzilla.redhat.com/show_bug.cgi?id=464424





--- Comment #35 from Jussi Lehtola <jussi.lehtola@xxxxxx>  2008-10-04 11:25:10 EDT ---
Module system implemented after a lot of work. Please test on other
architectures than x86_64.

Have a look at

http://theory.physics.helsinki.fi/~jzlehtol/rpms/gromacs.spec
http://theory.physics.helsinki.fi/~jzlehtol/rpms/gromacs-4.0-0.10.rc3.fc9.src.rpm

If anyone knows how to build under mock for RHEL let me know. It should be
quite simple, since one just needs to resource the shell profile somehow to
make it refresh mpi variables.

I'm also working on a gromacs3 package.

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