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path: root/sci-chemistry
Commit message (Expand)AuthorAgeFilesLines
* sci-chemistry/pymol: Ensure proper prepare phase is runPacho Ramos2021-01-151-2/+1
* sci-chemistry/pymol: Fix netcdf handlingPacho Ramos2021-01-132-0/+151
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2021-01-132-2/+2
* sci-chemistry/votca-xtp: add v1.6.4Christoph Junghans2021-01-122-0/+46
* >sci-chemistry/votca-csgapps-1.6: was merged into >sci-chemistry/votca-csg-1.6Christoph Junghans2021-01-121-33/+0
* sci-chemistry/votca-csg: live ebuild updatesChristoph Junghans2021-01-121-6/+1
* sci-chemistry/votca-csgapps: add v1.6.4Christoph Junghans2021-01-122-0/+34
* sci-chemistry/votca-csg: add v1.6.4Christoph Junghans2021-01-122-0/+95
* sci-chemistry/MDAnalysis: Bump to 1.0.0Pacho Ramos2021-01-122-0/+38
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2021-01-122-0/+344
* sci-chemistry/gromacs: Drop old versionAlexey Shvetsov2021-01-122-256/+0
* sci-chemistry/votca-xtp: drop x86-macosFabian Groffen2021-01-0610-20/+20
* sci-chemistry/votca-ctp: drop x86-macosFabian Groffen2021-01-062-4/+4
* sci-chemistry/votca-csgapps: drop x86-macosFabian Groffen2021-01-0610-20/+20
* sci-chemistry/votca-csg: drop x86-macosFabian Groffen2021-01-0610-20/+20
* sci-chemistry/surf: drop x86-macosFabian Groffen2021-01-061-2/+2
* sci-chemistry/pymol: drop x86-macosFabian Groffen2021-01-061-2/+2
* sci-chemistry/probe: drop x86-macosFabian Groffen2021-01-061-2/+2
* sci-chemistry/gromacs: drop x86-macosFabian Groffen2021-01-068-16/+16
* sci-chemistry/nmrglue: Remove old (py3.6)Michał Górny2021-01-013-69/+0
* sci-chemistry/mdtraj: Remove old (py3.6)Michał Górny2021-01-012-35/+0
* */*: Update copyright line for files touched in 2019 and 2020.Ulrich Müller2020-12-231-1/+1
* sci-chemistry/openbabel: amd64 stable wrt bug #757912Agostino Sarubbo2020-12-181-1/+1
* 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