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sci-chemistry/nwchem

NWChem: Delivering High-Performance Computational Chemistry to Science

Screenshots

  • nwchem-6.1.1
    ~x86 ~amd64
    mpi examples nwchem-tests python

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    Overlay: science (layman)

ChangeLog

# ChangeLog for sci-chemistry/nwchem
# Copyright 1999-2013 Gentoo Foundation; Distributed under the GPL v2
# $Header: $

14 Mar 2013; François Bissey <francois.bissey@canterbury.ac.nz>
nwchem-6.1.1.ebuild:
Improving mpi linking. It will now work with openmpi as well.

03 Mar 2013; Justin Lecher <jlec@gentoo.org> nwchem-6.1.1.ebuild,
metadata.xml:
Move to EAPI=5 and clean ebuild syntax style

*nwchem-6.1.1 (02 Dec 2012)

02 Dec 2012; Alexey Shvetsov <alexxy@gentoo.org>
+files/nwchem-6.1.1-adjust-dir-length.patch,
+files/nwchem-6.1.1-makefile.patch, +files/nwchem-6.1.1-nwchemrc.patch,
+files/nwchem-6.1.1-python_makefile.patch, +metadata.xml,
+nwchem-6.1.1.ebuild:
[sci-chemistry/nwchem] Initial import from bug #393139. Mpi still doesnt work