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path: root/sci-chemistry
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* Small fix to boost depends to be future-proofPatrick Lauer2009-04-303-4/+9
* Adding dev-python/sip to deps for #267224. Should really fix python deps now....Patrick Lauer2009-04-303-4/+9
* Fixing python deps to include numpy. Fixes #267224. Will need boost[python] d...Patrick Lauer2009-04-273-4/+9
* whitespaceAlexey Shvetsov2009-04-232-6/+6
* Add support of adjusting MM size at build time for GAMESS-USAlexey Shvetsov2009-04-233-7/+28
* Add QM/MM support to GAMESS-USAlexey Shvetsov2009-04-224-7/+252
* Add new gromacs 4.0.4Alexey Shvetsov2009-04-207-446/+271
* Marked ~hppa (bug #260777).Jeroen Roovers2009-04-183-5/+8
* Fixed license, thanks jlecSebastien Fabbro2009-04-173-9/+12
* Manifest bugSebastien Fabbro2009-04-171-3/+3
* Proxying for jlec: removing numeric dependenciesSebastien Fabbro2009-04-164-13/+14
* Version bump.Marcus D. Hanwell2009-04-013-2/+47
* Giving up maintainership of this package.Olivier Fisette2009-03-243-16/+6
* Giving up maintainership of this package.Olivier Fisette2009-03-246-18/+15
* amd64/x86 stable, bug #260995Markus Meier2009-03-083-5/+18
* Fix trivial manpage collision, bug 260455. Thanks to Johan Hattne <johan.hatt...Peter Alfredsen2009-03-045-15/+20
* amd64 stable, bug 245874Jeremy Olexa2009-03-033-15/+8
* Version bump, removed old beta.Marcus D. Hanwell2009-03-023-10/+12
* Version bump, new version fixes bug 259643. Pruned old versions.Marcus D. Hanwell2009-03-017-168/+20
* Added missing patch file, sorry.Marcus D. Hanwell2009-03-013-2/+34
* Integrated some improvements from My Th <rei4dan@gmail.com> in bug 212212.Marcus D. Hanwell2009-02-284-35/+79
* Fix SRC_URIJeffrey Gardner2009-02-283-5/+8
* Latest version, includes gchempaint so that will be masked soon.Jeffrey Gardner2009-02-273-3/+67
* Marked ~ppc for bug #211786.Joseph Jezak2009-02-232-15/+5
* Marked ~ppc for bug #211786.Joseph Jezak2009-02-235-13/+20
* GAMESS version bumpAlexey Shvetsov2009-02-205-4/+605
* A typo in dependencies fixed in 3.3.0Andrey Grozin2009-02-193-7/+10
* Removed old version, added updated version of upcoming patch release.Marcus D. Hanwell2009-02-184-39/+43
* Version bump. Fixes bug #257785.Tomas Chvatal2009-02-174-4/+58
* Version bump and gcc-4.3 fix by Joel on bug #250423.Ryan Hill2009-02-155-3/+157
* (#258543) Remove duplicate python deps (walch.martin at web.de).Donnie Berkholz2009-02-115-19/+20
* stable x86, bug 245874Christian Faulhammer2009-02-073-7/+20
* (non maintainer commit) [QA] fix HOMEPAGE, bug 256488Jeremy Olexa2009-02-055-15/+19
* Latest releaseJeffrey Gardner2009-01-221-5/+7
* Latest releaseJeffrey Gardner2009-01-226-8/+234
* whitespaceMichael Sterrett2009-01-192-3/+2
* Fix for bug #254491. Big Thanks to Permjacov E. A. and Rene Meier. Also remov...Jeffrey Gardner2009-01-183-26/+27
* Latest version, thanks to Alexxy for the prod :)Jeffrey Gardner2009-01-043-3/+221
* Removed myself as maintainer.Marcus D. Hanwell2009-01-022-5/+5
* Version bump.Marcus D. Hanwell2009-01-024-5/+67
* nmrpipe goneSamuli Suominen2008-12-215-257/+0
* Fix bug 250420 thanks to Joel <joel_123@hotmail.com>Peter Alfredsen2008-12-194-8/+70
* Rename patchesJeffrey Gardner2008-12-194-4/+7
* Bump to fix compilation and use moved svn repository. Thanks to jlec on IRC.Jeffrey Gardner2008-12-193-6/+13
* Fixing file collision with sci-visualization/extrema, bug #249423.Andrey Grozin2008-12-074-9/+17
* Incorporating #includes to fix gcc4.3 issues.Jeffrey Gardner2008-11-304-4/+29
* Fixing this so it can actually work. Sorry.Patrick Lauer2008-11-283-5/+10
* Bump to 2.98Patrick Lauer2008-11-273-12/+69
* Bump to 1.14Patrick Lauer2008-11-273-2/+73
* Re-assign to sci-chemistry herd.Samuli Suominen2008-11-243-7/+7