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path: root/sci-chemistry
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* sci-chemistry/ccpn: Todays python patches; fix for generic tcl/tk; drop ↵Justin Lecher2013-01-165-13/+193
| | | | | | | unused local use description Package-Manager: portage-2.2.0_alpha153/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/aria: Version bumpJustin Lecher2013-01-114-13/+108
| | | | | Package-Manager: portage-2.2.0_alpha150/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/vmd: Use cuda.eclass and slo-operator for tclJustin Lecher2013-01-115-18/+279
| | | | | Package-Manager: portage-2.2.0_alpha150/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/namd: Link against versionless tcl/tk libsJustin Lecher2013-01-114-10/+14
| | | | | Package-Manager: portage-2.2.0_alpha150/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/ccpn: Todays python patchesJustin Lecher2013-01-108-758/+32
| | | | | Package-Manager: portage-2.2.0_alpha149/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/ccp4-apps: Add fix for tcl-8.6Justin Lecher2013-01-105-9/+540
| | | | | Package-Manager: portage-2.2.0_alpha149/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* fixed build with mkl-11*Christoph Junghans2012-12-293-18/+23
| | | | | Package-Manager: portage-2.2.0_alpha149/cvs/Linux x86_64 Manifest-Sign-Key: 0xC2000586
* use new mercurial.eclass defaultsChristoph Junghans2012-12-268-32/+34
| | | | | Package-Manager: portage-2.2.0_alpha149/cvs/Linux x86_64 Manifest-Sign-Key: 0xC2000586
* sync with sci overlayChristoph Junghans2012-12-264-20/+44
| | | | | Package-Manager: portage-2.2.0_alpha149/cvs/Linux x86_64 Manifest-Sign-Key: 0xC2000586
* sci-chemistry/openbabel-python: Add proposed enhancements by mgorny, #448118Justin Lecher2012-12-234-27/+21
| | | | | Package-Manager: portage-2.2.0_alpha149/cvs/Linux x86_64 Manifest-Sign-Key: 0x8009D6F070EB7916
* version bumpChristoph Junghans2012-12-224-39/+33
| | | | | Package-Manager: portage-2.2.0_alpha149/cvs/Linux x86_64 Manifest-Sign-Key: 0xC2000586
* sci-chemistry/rasmol: Drop old version; fixes 438428Justin Lecher2012-12-204-86/+11
| | | | | Package-Manager: portage-2.2.0_alpha149/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* x86 stable, see bug 438498Andreas Schuerch2012-12-203-9/+12
| | | | | Package-Manager: portage-2.1.11.31/cvs/Linux i686 Manifest-Sign-Key: 0xC1DE54B2
* sci-chemistry/scala: Drop oldJustin Lecher2012-12-174-47/+22
| | | | | Package-Manager: portage-2.2.0_alpha148/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* Stable for ppc, wrt bug #446742Agostino Sarubbo2012-12-163-5/+8
| | | | Package-Manager: portage-2.1.11.31/cvs/Linux ppc64
* Stable for x86, wrt bug #446742Agostino Sarubbo2012-12-143-5/+8
| | | | Package-Manager: portage-2.1.11.31/cvs/Linux x86_64
* Stable for amd64, wrt bug #446742Agostino Sarubbo2012-12-143-17/+8
| | | | Package-Manager: portage-2.1.11.31/cvs/Linux x86_64
* Fix LICENSE, Artistic License, Version 2.0 according to HOMEPAGE.Ulrich Müller2012-12-143-9/+21
| | | | | Package-Manager: portage-2.1.11.37/cvs/Linux x86_64 Manifest-Sign-Key: 0xE7BE08CA7DC6EA25
* Fix LICENSE, MIT (Expat) according to License file.Ulrich Müller2012-12-147-20/+35
| | | | | Package-Manager: portage-2.1.11.37/cvs/Linux x86_64 Manifest-Sign-Key: 0xE7BE08CA7DC6EA25
* sci-chemistry/mpqc: Run the intermediate testsuiteJustin Lecher2012-12-134-7/+21
| | | | | Package-Manager: portage-2.2.0_alpha148/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/ccp4i: Add missing dep on sci-libs/ccp4-libs, #405867Justin Lecher2012-12-134-20/+25
| | | | | Package-Manager: portage-2.2.0_alpha148/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/molsketch: Add quoting for prefix supportJustin Lecher2012-12-134-20/+24
| | | | | Package-Manager: portage-2.2.0_alpha148/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/ball: Fix for gcc-4.7, backported from upstream and stolen ↵Justin Lecher2012-12-136-22/+543
| | | | | | | from debian; thanks for their contribution, #425424 Package-Manager: portage-2.2.0_alpha148/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* CMAKE_BUILD_DIR -> BUILD_DIRChristoph Junghans2012-12-084-28/+32
| | | | | Package-Manager: portage-2.2.0_alpha145/cvs/Linux x86_64 Manifest-Sign-Key: 0xC2000586
* sci-chemistry/reduce: Version BUmpJustin Lecher2012-12-074-12/+81
| | | | | Package-Manager: portage-2.2.0_alpha144/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* version bumpChristoph Junghans2012-12-073-12/+18
| | | | | Package-Manager: portage-2.2.0_alpha144/cvs/Linux x86_64 Manifest-Sign-Key: 0xC2000586
* sci-chemistry/avogadro: Version Bump prepared by Reinis Danne, #439436; ↵Justin Lecher2012-12-065-26/+105
| | | | | | | fixes build with latest boost, #406267 Package-Manager: portage-2.2.0_alpha144/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/openbabel-perl: Version Bump prepared by Reinis Danne, #439434Justin Lecher2012-12-065-15/+240
| | | | | Package-Manager: portage-2.2.0_alpha144/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/openbabel-python: Version Bump prepared by Reinis Danne, #439434Justin Lecher2012-12-065-17/+361
| | | | | Package-Manager: portage-2.2.0_alpha144/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/openbabel: Version Bump prepared by Reinis Danne, #439434Justin Lecher2012-12-064-16/+132
| | | | | Package-Manager: portage-2.2.0_alpha144/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* version bumpChristoph Junghans2012-11-304-12/+274
| | | | | Package-Manager: portage-2.2.0_alpha143/cvs/Linux i686 Manifest-Sign-Key: 0xC2000586
* sci-chemistry/vmd: Drop dep on old tkJustin Lecher2012-11-294-21/+15
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/namd: Drop oldJustin Lecher2012-11-295-263/+51
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/gabedit: Version Bump, #444155Justin Lecher2012-11-293-18/+93
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/cns: Drop default value of FCFLAGS as it is in the profile ↵Justin Lecher2012-11-274-12/+15
| | | | | | | these days Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/ccpn: Todays python patches, drop USE=extendnmrJustin Lecher2012-11-253-6/+186
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* Stable for x86, wrt bug #436886Agostino Sarubbo2012-11-213-15/+8
| | | | Package-Manager: portage-2.1.11.31/cvs/Linux x86_64
* sci-chemistry/ccpn: Todays python patchJustin Lecher2012-11-193-6/+193
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x8009D6F070EB7916
* sci-chemistry/rasmol: Add missing depJustin Lecher2012-11-193-18/+12
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x8009D6F070EB7916
* updated metadata.xmlChristoph Junghans2012-11-173-10/+16
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux i686 Manifest-Sign-Key: 0xC2000586
* fix build on x86Christoph Junghans2012-11-153-8/+15
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux i686 Manifest-Sign-Key: 0xC2000586
* sci-chemistry/vmd: Fix detection of netcdf; #406737, thanks Reinis Danne ↵Justin Lecher2012-11-143-15/+243
| | | | | | | preparing the patch; Loosen dep for cuda support, #406083 Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* sci-chemistry/ccpn: Todays Python PatchesJustin Lecher2012-11-123-6/+192
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* stable ppc, bug #438498Anthony G. Basile2012-11-113-5/+28
| | | | | Package-Manager: portage-2.1.11.31/cvs/Linux x86_64 Manifest-Sign-Key: 0xF52D4BBA
* sci-chemistry/autodock_vina: Fix for boost >1.50, #425458Justin Lecher2012-11-074-16/+103
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x8009D6F070EB7916
* sci-chemistry/pymol-plugins-psico: Correct for moving of mmtk from ↵Justin Lecher2012-11-064-12/+15
| | | | | | | sci-chemistry to sci-libs Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x70EB7916
* 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 Sarubbo2012-10-313-17/+9
| | | | Package-Manager: portage-2.1.11.9/cvs/Linux x86_64
* sci-chemistry/PyMca: Version Bump, restrict pypyJustin Lecher2012-10-286-24/+92
| | | | | Package-Manager: portage-2.2.0_alpha142/cvs/Linux x86_64 Manifest-Sign-Key: 0x8009D6F070EB7916
* Update dependency after package move from x11-libs/openmotif to x11-libs/motif.Ulrich Müller2012-10-2410-39/+78
| | | | | Package-Manager: portage-2.1.11.30/cvs/Linux x86_64 Manifest-Sign-Key: 0xE7BE08CA7DC6EA25