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path: root/sci-chemistry
Commit message (Expand)AuthorAgeFilesLines
* sci-chemistry/psi: Port to EAPI 7David Seifert2020-08-295-43/+60
* sci-chemistry/chemtool: Port to EAPI 7David Seifert2020-08-294-22/+70
* sci-chemistry/chemtool: Remove oldDavid Seifert2020-08-292-57/+0
* sci-chemistry/votca-xtp: version bump to 1.6.2Christoph Junghans2020-08-223-1/+47
* sci-chemistry/votca-csgapps: version bump to 1.6.2Christoph Junghans2020-08-223-1/+35
* sci-chemistry/votca-csg: version bump to 1.6.2Christoph Junghans2020-08-223-3/+98
* sci-chemistry/chemex: Remove oldMichał Górny2020-08-202-42/+0
* sci-chemistry/openbabel-python: Remove py2.7Michał Górny2020-08-021-1/+1
* sci-chemistry/pymol: Drop 2.3.0-r2Andreas Sturmlechner2020-08-021-118/+0
* */*: Drop more Py2 last-rited pkgsAaron Bauman2020-07-2848-1742/+0
* */*: Drop last-rited Py2 only pkgsAaron Bauman2020-07-2716-461/+0
* */*: drop last-rited pkgsAaron Bauman2020-07-233-114/+0
* sci-chemistry/vmd: Drop oldPacho Ramos2020-07-217-1095/+0
* sci-chemistry/gromacs: Migrate cmake-utils -> cmakeAlexey Shvetsov2020-07-098-87/+87
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-07-092-0/+343
* */*: drop last-rited py2 packagesAaron Bauman2020-07-0311-444/+0
* sci-chemistry/autodock: Stop relying on python2Pacho Ramos2020-07-022-34/+46
* sci-chemistry/propka: Version bumpAlexey Shvetsov2020-07-013-15/+22
* sci-chemistry/gperiodic: Drop 2.0.10-r2 and 3.0.1Andreas Sturmlechner2020-06-307-272/+0
* sci-chemistry/gperiodic: x86 stable wrt bug #707580Agostino Sarubbo2020-06-301-1/+1
* sci-chemistry/pymol-plugins-promol: update homepageAlexey Sokolov2020-06-271-2/+2
* sci-chemistry/chemical-mime-data: remove unused patchMichael Mair-Keimberger2020-06-251-30/+0
* sci-chemistry/gperiodic: amd64 stable wrt bug #707580Agostino Sarubbo2020-06-221-1/+1
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2020-06-212-0/+46
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2020-06-212-0/+34
* sci-chemistry/votca-csg: version bumpChristoph Junghans2020-06-212-0/+95
* sci-chemistry/cara-bin: move away from virtual/libstdc++Sergei Trofimovich2020-06-211-2/+2
* sci-chemistry/nmrdepaker: Remove last-rited packageAndreas Sturmlechner2020-06-183-49/+0
* sci-chemistry/mdtraj: Bump to 1.9.4Pacho Ramos2020-06-132-0/+44
* sci-chemistry/gromacs: add missing flag-o-matic inheritMichael Mair-Keimberger2020-06-132-2/+2
* sci-chemistry/nmrglue: Bump to 0.7Pacho Ramos2020-06-132-0/+26
* sci-chemistry/chemex: Bump to 2018.10.3Pacho Ramos2020-06-132-0/+43
* sci-chemistry/GromacsWrapper: Don't install tests packagePacho Ramos2020-06-072-1/+21
* sci-chemistry/chemex: Bump to 2018.10.2Pacho Ramos2020-06-073-0/+59
* sci-chemistry/mopac7: Drop 1.15Andreas Sturmlechner2020-06-041-74/+0
* sci-chemistry/mopac7: x86 stable wrt bug #724152Agostino Sarubbo2020-06-041-1/+1
* sci-chemistry/votca-xtp: x86 stable wrt bug #685046Agostino Sarubbo2020-06-041-2/+2
* sci-chemistry/votca-csgapps: x86 stable wrt bug #685046Agostino Sarubbo2020-06-041-2/+2
* sci-chemistry/votca-csg: x86 stable wrt bug #685046Agostino Sarubbo2020-06-041-2/+2
* sci-chemistry/pymol: Works with py38Alexey Shvetsov2020-06-041-1/+1
* sci-chemistry/mopac7: amd64 stable wrt bug #724152Agostino Sarubbo2020-05-291-1/+1
* sci-chemistry/mopac7: stable 1.15-r1 for ppc, bug #724152Sergei Trofimovich2020-05-251-2/+2
* sci-chemistry/mustang: Drop 3.2.1Andreas Sturmlechner2020-05-212-49/+0
* sci-chemistry/mustang: x86 stable wrt bug #724158Agostino Sarubbo2020-05-211-1/+1
* sci-chemistry/mustang: amd64 stable wrt bug #724158Agostino Sarubbo2020-05-211-2/+2
* sci-chemistry/votca-xtp: amd64 stable wrt bug #685046Agostino Sarubbo2020-05-211-2/+2
* sci-chemistry/votca-csgapps: amd64 stable wrt bug #685046Agostino Sarubbo2020-05-211-2/+2
* sci-chemistry/votca-csg: amd64 stable wrt bug #685046Agostino Sarubbo2020-05-211-2/+2
* sci-chemistry/molsketch: Fix QA issues, switch to cmake.eclass, EAPI-7Andreas Sturmlechner2020-05-211-21/+21
* sci-chemistry/gperiodic: ebuild style, eutils--, DEPEND -> BDEPENDAndreas Sturmlechner2020-05-191-24/+10