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path: root/sci-chemistry
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* sci-chemistry/votca-xtp: version bump to v1.6.3Christoph Junghans2020-12-102-0/+46
* sci-chemistry/votca-csgapps: version bump to v1.6.3Christoph Junghans2020-12-102-0/+34
* sci-chemistry/votca-csg: version bump to v1.6.3Christoph Junghans2020-12-102-0/+95
* sci-chemistry/vmd: Update fetch restriction messagePacho Ramos2020-12-062-2/+3
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-12-032-2/+2
* sci-chemistry/modeller: fix varAlexey Shvetsov2020-12-021-1/+1
* sci-chemistry/modeller: resurectionAlexey Shvetsov2020-12-023-0/+162
* sci-chemistry/openbabel: x86 stable (bug #757912)Thomas Deutschmann2020-12-021-1/+1
* sci-chemistry/cara-bin: drop USE=luaMarek Szuba2020-11-291-4/+2
* sci-chemistry/pymol: Fix distutils warningAlexey Shvetsov2020-11-281-0/+1
* sci-chemistry/elem: fix build with gcc-10Jakov Smolic2020-11-272-1/+25
* sci-chemistry/pymol: Version bumpAlexey Shvetsov2020-11-272-1/+1
* sci-chemistry/pymol: add pmw as depAlexey Shvetsov2020-11-271-0/+1
* sci-chemistry/mopac7: update MakefileJakov Smolic2020-11-211-5/+0
* sci-chemistry/procheck: update HOMEPAGEJakov Smolic2020-11-211-3/+3
* sci-chemistry/vmd: fix SizeViolation issueJoonas Niilola2020-11-153-605/+3
* sci-chemistry/mopac7: disable static libsJakov Smolic2020-11-141-3/+7
* sci-chemistry/gromacs: Stabilize 2019.6 ALLARCHES, #733574Sam James2020-11-131-1/+1
* sci-chemistry/gromacs: Stabilize 2020.4 ALLARCHES, #754084Sam James2020-11-131-1/+1
* sci-chemistry/gromacs: x86 stable (bug #754084)Thomas Deutschmann2020-11-121-1/+1
* sci-chemistry/gromacs: x86 stable (bug #733574)Thomas Deutschmann2020-11-121-1/+1
* sci-chemistry/gromacs: Update metadataAlexey Shvetsov2020-11-111-1/+1
* sci-chemistry/gromacs: New 2021_beta2Alexey Shvetsov2020-11-112-2/+2
* sci-chemistry/gromacs: Remove old 2020.x releasesAlexey Shvetsov2020-11-114-1032/+0
* sci-chemistry/gromacs: Update URI'sAlexey Shvetsov2020-11-1111-49/+57
* sci-chemistry/votca-csg: fix 9999 buildChristoph Junghans2020-11-041-1/+1
* sci-chemistry/votca-csg: fix buildChristoph Junghans2020-11-031-1/+1
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-10-274-20/+723
* sci-chemistry/ortep3: Remove last-rited pkgMichał Górny2020-10-163-45/+0
* sci-chemistry/gromacs: added py39Alexey Shvetsov2020-10-146-16/+20
* sci-chemistry/pymol: Added py39Alexey Shvetsov2020-10-141-1/+1
* sci-chemistry/mdtraj: Works with py39Alexey Shvetsov2020-10-131-1/+1
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-10-102-0/+343
* sci-chemistry/theseus: drop old EAPI=5Aaron Bauman2020-09-243-135/+0
* sci-chemistry/vmd: Apply fixes to pluginsPacho Ramos2020-09-242-0/+610
* sci-chemistry/ParmEd: Remove last-rited pkgMichał Górny2020-09-214-99/+0
* sci-chemistry/freeon: Remove last-rited pkgMichał Górny2020-09-216-277/+0
* sci-chemistry/openbabel-python: Remove last-rited pkgMichał Górny2020-09-214-123/+0
* sci-chemistry/vmd: Remove oldMichał Górny2020-09-195-734/+0
* sci-chemistry/molequeue: Remove oldMichał Górny2020-09-192-218/+0
* Move {sci-libs → dev-python}/scipyMichał Górny2020-09-189-9/+9
* sci-chemistry/vmd: Allow to apply user patches in pluginsPacho Ramos2020-09-171-1/+5
* sci-chemistry/raster3d: Remove old 3.0.2, 3.0.3David Seifert2020-09-163-214/+0
* sci-chemistry/raster3d: Version bump to 3.0.6David Seifert2020-09-162-0/+108
* sci-chemistry/probe: Port to EAPI 7David Seifert2020-09-161-13/+11
* sci-chemistry/surf: Port to EAPI 7David Seifert2020-09-163-22/+232
* sci-chemistry/msms-bin: Port to EAPI 7David Seifert2020-09-161-16/+12
* sci-chemistry/moldy: Port to EAPI 7David Seifert2020-09-161-14/+15
* sci-chemistry/mars: Port to EAPI 7David Seifert2020-09-161-9/+9
* sci-chemistry/ksdssp: Port to EAPI 7David Seifert2020-09-161-12/+13