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sci-chemistry/nwchem

Delivering High-Performance Computational Chemistry to Science

Screenshots

  • nwchem-6.3-r2
    ~x86 ~amd64
    mpi doc examples nwchem-tests python python_targets_python2_6 python_targets_python2_7 python_single_target_python2_6 python_single_target_python2_7

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    Overlay: science (layman)
  • nwchem-6.3-r1
    ~x86 ~amd64
    mpi doc examples nwchem-tests python python_targets_python2_6 python_targets_python2_7 python_single_target_python2_6 python_single_target_python2_7

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    Overlay: science (layman)

ChangeLog

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

19 Oct 2013; Honza Machá?ek <Hloupy.Honza@centrum.cz> nwchem-6.3-r2.ebuild:
Arranged for the TeX fonts creation in the sandbox. This time really.

*nwchem-6.3-r2 (19 Oct 2013)

19 Oct 2013; Honza Machá?ek <Hloupy.Honza@centrum.cz>
+nwchem-6.3-r2.ebuild:
Updated to 6.3 revision 2. The source directory name shortened to fit under
the length restrictions in the makefiles. Arranged for the TeX fonts creation
in the sandbox.

*nwchem-6.3-r1 (23 Jul 2013)

23 Jul 2013; Honza Machá?ek <Hloupy.Honza@centrum.cz> -nwchem-6.3.ebuild,
+nwchem-6.3-r1.ebuild, 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, -files/nwchem-6.3-html_doc.patch,
+files/nwchem-6.3-r1-html_doc.patch:
Updated to 6.3-r1, python makefile patch cosmetically improved, the python
support linked properly to python2.

16 Jun 2013; Justin Lecher <jlec@gentoo.org> -nwchem-6.1.1.ebuild,
nwchem-6.3.ebuild:
Drop old; drop virtual/fortran as the eclass depends on it

04 Jun 2013; Justin Lecher <jlec@gentoo.org> nwchem-6.3.ebuild:
Fix for correct usage of new python eclasses

*nwchem-6.3 (30 May 2013)

30 May 2013; Honza Machá?ek <Hloupy.Honza@centrum.cz> +nwchem-6.3.ebuild,
+files/nwchem-6.3-html_doc.patch:
Version bumped to 6.3, adding the doc option attempted.

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