[Bug 984605] Review Request: nwchem - Delivering High-Performance Computational Chemistry
bugzilla at redhat.com
bugzilla at redhat.com
Tue Jul 30 20:25:39 UTC 2013
https://bugzilla.redhat.com/show_bug.cgi?id=984605
--- Comment #6 from marcindulak <Marcin.Dulak at gmail.com> ---
This fixes bug #984605 comment #2 and hopefully conforms to
http://fedoraproject.org/wiki/Packaging:MPI#Packaging_of_MPI_software
It builds the serial, openmpi and mpich versions. The basis sets,
pseudopotentials are in the nwchem-common package instead of nwchem-data.
Spec URL: http://marcindulak.fedorapeople.org/packages/nwchem/v02/nwchem.spec
SRPM URL:
http://marcindulak.fedorapeople.org/packages/nwchem/v02/nwchem-6.3.1-2.fc20.src.rpm
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