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path: root/sci-chemistry
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* update EHG_REPO_URIChristoph Junghans2012-12-302-3/+5
* update EHG_REPO_URIChristoph Junghans2012-12-302-3/+4
* update EHG_REPO_URIChristoph Junghans2012-12-302-3/+4
* further clean upChristoph Junghans2012-12-302-1/+8
* version bumpChristoph Junghans2012-12-303-11/+12
* fixed build with newer mklChristoph Junghans2012-12-292-1/+10
* sci-chemistry/gromacs: clean upChristoph Junghans2012-12-272-6/+4
* fixed openmm suffixChristoph Junghans2012-12-262-3/+9
* fixed another typoChristoph Junghans2012-12-262-2/+5
* fixed typoChristoph Junghans2012-12-252-1/+4
* Added mkl supportChristoph Junghans2012-12-253-5/+24
* fix build with !cuda and python=3 + qaChristoph Junghans2012-12-222-1/+10
* sync with gx86Christoph Junghans2012-12-224-26/+17
* fortran is goneChristoph Junghans2012-12-192-16/+6
* InCvsJustin Lecher2012-12-106-182/+0
* Merge branch 'master' of git+ssh://git.overlays.gentoo.org/proj/sciJustin Lecher2012-12-1025-775/+86
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| * Merge branch 'master' of git+ssh://git.overlays.gentoo.org/proj/sciJustin Lecher2012-12-104-21/+25
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| | * CMAKE_BUILD_DIR -> BUILD_DIRChristoph Junghans2012-12-084-21/+25
| * | sci-chemistry/avogadro: Add patch to avoid textrels on i686, #439410Justin Lecher2012-12-063-0/+23
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| * sci-chemistry/avogadro: Restrict test phase https://sourceforge.net/p/avogadr...Justin Lecher2012-12-063-17/+34
| * sci-chemistry/avogadro: Fix openbabel version, #442154Justin Lecher2012-12-062-1/+4
| * Moved to treeJustin Lecher2012-12-066-239/+0
| * Moved to treeJustin Lecher2012-12-066-359/+0
| * Moved to treeJustin Lecher2012-12-065-142/+0
| * sci-chemistry/openbabel: Add missing dep for USE=docJustin Lecher2012-12-062-1/+5
* | Merge branch 'master' of git+ssh://git.overlays.gentoo.org/proj/sciJustin Lecher2012-12-0510-5/+238
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| * [sci-chemistry/nwchem] Initial import from bug #393139. Mpi still doesnt workAlexey Shvetsov2012-12-028-0/+223
| * sync with gx86Christoph Junghans2012-11-302-5/+15
* | sci-chemistry/mddnmr: Version BUmpJustin Lecher2012-11-293-0/+65
* | Merge branch 'master' of git+ssh://git.overlays.gentoo.org/proj/sciJustin Lecher2012-11-292-4/+4
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| * sci-chemistry/vmd: Drop dep on old tkJustin Lecher2012-11-292-4/+4
* | sci-chemistry/mddnmr: Version BumpJustin Lecher2012-11-284-18/+40
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* added openmm supportChristoph Junghans2012-11-263-8/+27
* * cuda:Justin Lecher2012-11-264-0/+478
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| * sci-chemistry/vmd: Using new cuda.eclassJustin Lecher2012-11-263-28/+9
| * Imported from treeJustin Lecher2012-11-264-0/+497
* | sci-chemistry/openbabel: Add test phase, check openmp correctlyJustin Lecher2012-11-262-3/+16
* | sci-chemistry/nmrpipe: Version BUmpJustin Lecher2012-11-263-3/+9
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* live ebuild updateChristoph Junghans2012-11-182-20/+17
* sci-chemistry/avogadro: Add test phaseJustin Lecher2012-11-152-2/+9
* sci-chemistry/simpson: Fix underlinkingJustin Lecher2012-11-152-1/+4
* Moved to TreeJustin Lecher2012-11-144-242/+0
* sci-chemistry/phenix-bin: Make no-fetch msg better understandableJustin Lecher2012-11-142-1/+5
* sci-chemistry/phenix-bin: Fix depsJustin Lecher2012-11-142-1/+38
* sci-chemistry/chimera-bin: Add dep on virtual/openglJustin Lecher2012-11-142-0/+4
* sci-chemistry/chimera-bin: Fix depsJustin Lecher2012-11-142-0/+32
* openbabel-python: Enter BUILD_DIR in src_installReinis Danne2012-11-112-1/+11
* sci-chemistry/ambertools: Add another fix for blas/lapackJustin Lecher2012-11-083-2/+12
* sci-chemistry/nmrpipe: Version BumpJustin Lecher2012-10-284-4/+12
* sci-chemistry/wxmacmolplt: Fix prefix awareness; correct desktop file creationJustin Lecher2012-10-283-10/+14