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path: root/sci-chemistry
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* 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
* sci-chemistry/gperiodic: bump to 3.0.3, EAPI=7Volkmar W. Pogatzki2020-05-192-0/+60
* sci-chemistry/gperiodic: update HOMEPAGEVolkmar W. Pogatzki2020-05-192-5/+5
* sci-chemistry/gromacs: drop 2019.9999 and 2018.9999Alexey Shvetsov2020-05-142-611/+0
* sci-chemistry/gromacs: Use mainstream manualAlexey Shvetsov2020-05-144-206/+25
* sci-chemistry/gromacs: Version bump to 2020.2Alexey Shvetsov2020-05-123-22/+30
* sci-chemistry/gelemental: drop oldMatthias Maier2020-05-016-169/+0
* sci-chemistry/gelemental: use xdg-utils eclassMatthias Maier2020-05-011-5/+7
* sci-chemistry/gelemental: x86 stable wrt bug #720198Agostino Sarubbo2020-05-011-1/+1
* sci-chemistry/gelemental: amd64 stable wrt bug #720198Agostino Sarubbo2020-05-011-1/+1
* sci-chemistry/gelemental: remove dead codeMatthias Maier2020-04-301-6/+1
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2020-04-172-0/+46
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2020-04-172-0/+34
* sci-chemistry/votca-csg: version bumpChristoph Junghans2020-04-172-0/+95
* sci-chemistry/chemical-mime-data: Drop oldPacho Ramos2020-04-051-45/+0
* sci-chemistry/chemical-mime-data: arm64 stable (bug #710490)Sam James (sam_c)2020-04-051-1/+1
* sci-chemistry/votca-xtp: fix depsChristoph Junghans2020-04-022-0/+2
* sci-chemistry/chemical-mime-data: x86 stable wrt bug #710490Agostino Sarubbo2020-03-221-1/+1
* sci-chemistry/chemical-mime-data: arm stable wrt bug #710490Agostino Sarubbo2020-03-221-1/+1
* sci-chemistry/chemical-mime-data: Fix rsvg-convert vs convert interactionPacho Ramos2020-03-202-1/+37
* sci-chemistry/avogadro2: Bump to 1.93.0Pacho Ramos2020-03-142-0/+57
* sci-chemistry/gnome-chemistry-utils: Needs gnome-commonPacho Ramos2020-03-111-1/+2
* sci-chemistry/vmd: Fix support for current CUDA versionsPacho Ramos2020-03-082-0/+698
* sci-chemistry/shelx: Remove package.Ulrich Müller2020-03-063-85/+0
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-03-042-0/+339
* sci-chemistry/pymol: pymol works with py3Alexey Shvetsov2020-03-042-1/+113
* sci-chemistry/gnome-chemistry-utils: Introduce gnome chemistry utilsPacho Ramos2020-03-014-0/+119
* sci-chemistry/gromacs: add v2019.6Christoph Junghans2020-02-282-0/+318
* */*: [QA] Remove redundant --docdir/--htmldirDavid Seifert2020-02-232-8/+3
* */*: [QA] Use consistent function definition formattingDavid Seifert2020-02-2212-29/+29
* sci-chemistry/chemical-mime-data: amd64 stable, bug #710490Pacho Ramos2020-02-221-1/+1
* sci-chemistry/gabedit: Remove last-rited pkgMichał Górny2020-02-216-229/+0
* sci-chemistry/ghemical: Remove last-rited pkgMichał Górny2020-02-215-136/+0
* sci-chemistry/openbabel: [QA] inherit toolchain-funcs.eclass directlyDavid Seifert2020-02-132-4/+4
* sci-chemistry/autodock_vina: [QA] inherit toolchain-funcs.eclass directlyDavid Seifert2020-02-131-1/+1
* sci-chemistry/hollow: [QA] inherit vcs-clean.eclass directlyDavid Seifert2020-02-121-2/+2
* sci-chemistry/freeon: Remove py2 where possibleMichał Górny2020-02-101-1/+1
* sci-chemistry/nmrdepaker: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-091-9/+11
* sci-chemistry/chemex: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-091-15/+15
* sci-chemistry/vmd: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-094-16/+24
* sci-chemistry/relax: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-091-17/+19
* sci-chemistry/prodecomp: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-091-4/+6
* sci-chemistry/gromacs: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-095-6/+16
* sci-chemistry/pdb2pqr: Switch to python-single-r1Michał Górny2020-02-091-45/+27
* sci-chemistry/openbabel-python: Fix broken GCC version detectionDavid Seifert2020-02-091-1/+1
* sci-chemistry/openbabel: Fix broken GCC version detectionDavid Seifert2020-02-091-1/+1
* sci-chemistry/gmxapi: [QA] Fix UnnecessarySlashStripDavid Seifert2020-02-081-1/+1
* sci-chemistry/autodock_vina: Port to EAPI 7David Seifert2020-02-082-13/+27
* sci-chemistry/pymol: chemical-mime-data needed for .desktop Mime defsPacho Ramos2020-02-071-1/+3