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path: root/sci-chemistry
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* fixed build with mkl-11*Christoph Junghans2012-12-291-9/+9
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* fixed build with mkl-11*Christoph Junghans2012-12-292-9/+14
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* use new mercurial.eclass defaultsChristoph Junghans2012-12-261-10/+10
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* use new mercurial.eclass defaultsChristoph Junghans2012-12-263-5/+7
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* use new mercurial.eclass defaultsChristoph Junghans2012-12-261-10/+10
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* use new mercurial.eclass defaultsChristoph Junghans2012-12-263-7/+7
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* sync with sci overlayChristoph Junghans2012-12-261-10/+10
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* sync with sci overlayChristoph Junghans2012-12-263-10/+34
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* sci-chemistry/openbabel-python: Add proposed enhancements by mgorny, #448118Justin Lecher2012-12-231-8/+8
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key 8009D6F070EB7916)
* sci-chemistry/openbabel-python: Add proposed enhancements by mgorny, #448118Justin Lecher2012-12-233-19/+13
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key 8009D6F070EB7916)
* version bumpChristoph Junghans2012-12-221-11/+11
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* version bumpChristoph Junghans2012-12-223-28/+22
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key C2000586)
* sci-chemistry/rasmol: Drop old version; fixes 438428Justin Lecher2012-12-201-7/+5
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/rasmol: Drop old version; fixes 438428Justin Lecher2012-12-203-79/+6
| | | | (Portage version: 2.2.0_alpha149/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* x86 stable, see bug 438498Andreas Schuerch2012-12-201-6/+6
| | | | (Portage version: 2.1.11.31/cvs/Linux i686, signed Manifest commit with key C1DE54B2)
* x86 stable, see bug 438498Andreas Schuerch2012-12-202-3/+6
| | | | (Portage version: 2.1.11.31/cvs/Linux i686, signed Manifest commit with key C1DE54B2)
* sci-chemistry/scala: Drop oldJustin Lecher2012-12-171-4/+12
| | | | (Portage version: 2.2.0_alpha148/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/scala: Drop oldJustin Lecher2012-12-173-43/+10
| | | | (Portage version: 2.2.0_alpha148/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* Stable for ppc, wrt bug #446742Agostino Sarubbo2012-12-161-2/+2
| | | | (Portage version: 2.1.11.31/cvs/Linux ppc64, unsigned Manifest commit)
* Stable for ppc, wrt bug #446742Agostino Sarubbo2012-12-162-3/+6
| | | | (Portage version: 2.1.11.31/cvs/Linux ppc64, unsigned Manifest commit)
* Stable for x86, wrt bug #446742Agostino Sarubbo2012-12-142-3/+6
| | | | (Portage version: 2.1.11.31/cvs/Linux x86_64, unsigned Manifest commit)
* Stable for x86, wrt bug #446742Agostino Sarubbo2012-12-141-2/+2
| | | | (Portage version: 2.1.11.31/cvs/Linux x86_64, unsigned Manifest commit)
* Stable for amd64, wrt bug #446742Agostino Sarubbo2012-12-142-4/+6
| | | | (Portage version: 2.1.11.31/cvs/Linux x86_64, unsigned Manifest commit)
* Stable for amd64, wrt bug #446742Agostino Sarubbo2012-12-141-13/+2
| | | | (Portage version: 2.1.11.31/cvs/Linux x86_64, unsigned Manifest commit)
* Fix LICENSE, Artistic License, Version 2.0 according to HOMEPAGE.Ulrich Müller2012-12-141-6/+15
| | | | (Portage version: 2.1.11.37/cvs/Linux x86_64, signed Manifest commit with key E7BE08CA7DC6EA25)
* Fix LICENSE, Artistic License, Version 2.0 according to HOMEPAGE.Ulrich Müller2012-12-142-3/+6
| | | | (Portage version: 2.1.11.37/cvs/Linux x86_64, signed Manifest commit with key E7BE08CA7DC6EA25)
* Fix LICENSE, MIT (Expat) according to License file.Ulrich Müller2012-12-141-9/+19
| | | | (Portage version: 2.1.11.37/cvs/Linux x86_64, signed Manifest commit with key E7BE08CA7DC6EA25)
* Fix LICENSE, MIT (Expat) according to License file.Ulrich Müller2012-12-146-11/+16
| | | | (Portage version: 2.1.11.37/cvs/Linux x86_64, signed Manifest commit with key E7BE08CA7DC6EA25)
* sci-chemistry/mpqc: Run the intermediate testsuiteJustin Lecher2012-12-131-3/+13
| | | | (Portage version: 2.2.0_alpha148/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/mpqc: Run the intermediate testsuiteJustin Lecher2012-12-133-4/+8
| | | | (Portage version: 2.2.0_alpha148/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/ccp4i: Add missing dep on sci-libs/ccp4-libs, #405867Justin Lecher2012-12-131-14/+14
| | | | (Portage version: 2.2.0_alpha148/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/ccp4i: Add missing dep on sci-libs/ccp4-libs, #405867Justin Lecher2012-12-133-6/+11
| | | | (Portage version: 2.2.0_alpha148/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/molsketch: Add quoting for prefix supportJustin Lecher2012-12-131-10/+9
| | | | (Portage version: 2.2.0_alpha148/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/molsketch: Add quoting for prefix supportJustin Lecher2012-12-133-10/+15
| | | | (Portage version: 2.2.0_alpha148/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/ball: Fix for gcc-4.7, backported from upstream and stolen ↵Justin Lecher2012-12-131-10/+8
| | | | | | from debian; thanks for their contribution, #425424 (Portage version: 2.2.0_alpha148/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* sci-chemistry/ball: Fix for gcc-4.7, backported from upstream and stolen ↵Justin Lecher2012-12-135-12/+535
| | | | | | from debian; thanks for their contribution, #425424 (Portage version: 2.2.0_alpha148/cvs/Linux x86_64, signed Manifest commit with key 70EB7916)
* 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)