> as a member of the OpenMPI maintainer group, I'm very interested in OpenMPI
> support for GROMACS. Please find the attached patch to add it. It compiles
> fine in single and double precision modes on my maschine.

Great!  I'd been leaving it out because it didn't compile the last time
I'd checked it (which was admittedly back on openmpi 1.0.2) and wasn't
expecting to be able to add support until GROMACS 4.0.  I'll be happy to
add support sooner.

> OpenMPI does not support all architectures, so I adjusted the Arch: field of
> the gromacs-openmpi package. The rest should fit into your packaging scheme.

I think debian/rules will require some further modification to keep it
from failing when calling the build target on the architectures where
OpenMPI is unavailable.  It'll be a few days before I have time to look
at it.

Out of personal curiosity, are the remaining architectures likely to be
supported by the release of lenny?  (I'm perhaps the only person that
tries running GROMACS on a MIPS box occasionally, mostly to check for
glaringly obvious non-i386 problems.)


-- 
Nicholas Breen
[EMAIL PROTECTED]



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