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path: root/sci-chemistry
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* CMAKE_BUILD_DIR -> BUILD_DIRChristoph Junghans2012-12-081-10/+10
| | | | (Portage version: 2.2.0_alpha145/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* CMAKE_BUILD_DIR -> BUILD_DIRChristoph Junghans2012-12-083-18/+22
| | | | (Portage version: 2.2.0_alpha145/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* sci-chemistry/reduce: Version BUmpJustin Lecher2012-12-071-9/+21
| | | | (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/reduce: Version BUmpJustin Lecher2012-12-073-3/+60
| | | | (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* version bumpChristoph Junghans2012-12-071-10/+10
| | | | (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* version bumpChristoph Junghans2012-12-072-2/+8
| | | | (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* sci-chemistry/avogadro: Version Bump prepared by Reinis Danne, #439436; ↵Justin Lecher2012-12-061-19/+12
| | | | | | fixes build with latest boost, #406267 (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/avogadro: Version Bump prepared by Reinis Danne, #439436; ↵Justin Lecher2012-12-064-7/+93
| | | | | | fixes build with latest boost, #406267 (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/openbabel-perl: Version Bump prepared by Reinis Danne, #439434Justin Lecher2012-12-061-14/+18
| | | | (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/openbabel-perl: Version Bump prepared by Reinis Danne, #439434Justin Lecher2012-12-064-1/+222
| | | | (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/openbabel-python: Version Bump prepared by Reinis Danne, #439434Justin Lecher2012-12-061-16/+20
| | | | (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/openbabel-python: Version Bump prepared by Reinis Danne, #439434Justin Lecher2012-12-064-1/+341
| | | | (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/openbabel: Version Bump prepared by Reinis Danne, #439434Justin Lecher2012-12-061-15/+18
| | | | (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/openbabel: Version Bump prepared by Reinis Danne, #439434Justin Lecher2012-12-063-1/+114
| | | | (Portage version: 2.2.0_alpha144/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* version bumpChristoph Junghans2012-11-301-8/+14
| | | | (Portage version: 2.2.0_alpha143/cvs/Linux i686, signed Manifest commit with key C2000586)
* version bumpChristoph Junghans2012-11-303-4/+260
| | | | (Portage version: 2.2.0_alpha143/cvs/Linux i686, signed Manifest commit with key C2000586)
* sci-chemistry/vmd: Drop dep on old tkJustin Lecher2012-11-291-10/+6
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/vmd: Drop dep on old tkJustin Lecher2012-11-293-11/+9
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/namd: Drop oldJustin Lecher2012-11-291-21/+18
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/namd: Drop oldJustin Lecher2012-11-294-242/+33
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/gabedit: Version Bump, #444155Justin Lecher2012-11-291-17/+18
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/gabedit: Version Bump, #444155Justin Lecher2012-11-292-1/+75
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/cns: Drop default value of FCFLAGS as it is in the profile ↵Justin Lecher2012-11-271-7/+6
| | | | | | these days (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/cns: Drop default value of FCFLAGS as it is in the profile ↵Justin Lecher2012-11-273-5/+9
| | | | | | these days (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/ccpn: Todays python patches, drop USE=extendnmrJustin Lecher2012-11-251-5/+7
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/ccpn: Todays python patches, drop USE=extendnmrJustin Lecher2012-11-252-1/+179
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* Stable for x86, wrt bug #436886Agostino Sarubbo2012-11-211-12/+2
| | | | (Portage version: 2.1.11.31/cvs/Linux x86_64, unsigned Manifest commit)
* Stable for x86, wrt bug #436886Agostino Sarubbo2012-11-212-3/+6
| | | | (Portage version: 2.1.11.31/cvs/Linux x86_64, unsigned Manifest commit)
* sci-chemistry/ccpn: Todays python patchJustin Lecher2012-11-191-5/+7
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 8009D6F070EB7916)
* sci-chemistry/ccpn: Todays python patchJustin Lecher2012-11-192-1/+186
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 8009D6F070EB7916)
* sci-chemistry/rasmol: Add missing depJustin Lecher2012-11-191-16/+6
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 8009D6F070EB7916)
* sci-chemistry/rasmol: Add missing depJustin Lecher2012-11-192-2/+6
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 8009D6F070EB7916)
* updated metadata.xmlChristoph Junghans2012-11-171-9/+9
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux i686, signed Manifest commit with key C2000586)
* updated metadata.xmlChristoph Junghans2012-11-172-1/+7
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux i686, signed Manifest commit with key C2000586)
* fix build on x86Christoph Junghans2012-11-151-5/+9
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux i686, signed Manifest commit with key C2000586)
* fix build on x86Christoph Junghans2012-11-152-3/+6
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux i686, signed Manifest commit with key C2000586)
* sci-chemistry/vmd: Fix detection of netcdf; #406737, thanks Reinis Danne ↵Justin Lecher2012-11-141-14/+6
| | | | | | preparing the patch; Loosen dep for cuda support, #406083 (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/vmd: Fix detection of netcdf; #406737, thanks Reinis Danne ↵Justin Lecher2012-11-142-1/+237
| | | | | | preparing the patch; Loosen dep for cuda support, #406083 (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/ccpn: Todays Python PatchesJustin Lecher2012-11-121-5/+6
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/ccpn: Todays Python PatchesJustin Lecher2012-11-122-1/+186
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* stable ppc, bug #438498Anthony G. Basile2012-11-111-2/+22
| | | | (Portage version: 2.1.11.31/cvs/Linux x86_64, signed Manifest commit with key 0xF52D4BBA)
* stable ppc, bug #438498Anthony G. Basile2012-11-112-3/+6
| | | | (Portage version: 2.1.11.31/cvs/Linux x86_64, signed Manifest commit with key 0xF52D4BBA)
* sci-chemistry/autodock_vina: Fix for boost >1.50, #425458Justin Lecher2012-11-071-12/+13
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 8009D6F070EB7916)
* sci-chemistry/autodock_vina: Fix for boost >1.50, #425458Justin Lecher2012-11-073-4/+90
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 8009D6F070EB7916)
* sci-chemistry/pymol-plugins-psico: Correct for moving of mmtk from ↵Justin Lecher2012-11-061-7/+6
| | | | | | sci-chemistry to sci-libs (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/pymol-plugins-psico: Correct for moving of mmtk from ↵Justin Lecher2012-11-063-5/+9
| | | | | | sci-chemistry to sci-libs (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* Move sci-chemistry/mmtk to sci-libs/mmtk due to duplication, #441648Justin Lecher2012-11-044-88/+0
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* Stable for amd64, wrt bug #438498Agostino Sarubbo2012-10-311-14/+3
| | | | (Portage version: 2.1.11.9/cvs/Linux x86_64, unsigned Manifest commit)
* Stable for amd64, wrt bug #438498Agostino Sarubbo2012-10-312-3/+6
| | | | (Portage version: 2.1.11.9/cvs/Linux x86_64)
* sci-chemistry/PyMca: Version Bump, restrict pypyJustin Lecher2012-10-281-11/+14
| | | | (Portage version: 2.2.0_alpha142/cvs/Linux x86_64, signed Manifest commit with key 8009D6F070EB7916)