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* sci-chemistry/gelemental: remove dead codeMatthias Maier2020-04-301-6/+1
| | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Matthias Maier <tamiko@gentoo.org>
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2020-04-172-0/+46
| | | | | Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2020-04-172-0/+34
| | | | | Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csg: version bumpChristoph Junghans2020-04-172-0/+95
| | | | | Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/chemical-mime-data: Drop oldPacho Ramos2020-04-051-45/+0
| | | | | Package-Manager: Portage-2.3.96, Repoman-2.3.22 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/chemical-mime-data: arm64 stable (bug #710490)Sam James (sam_c)2020-04-051-1/+1
| | | | | Signed-off-by: Sam James (sam_c) <sam@cmpct.info> Signed-off-by: Mart Raudsepp <leio@gentoo.org>
* sci-chemistry/votca-xtp: fix depsChristoph Junghans2020-04-022-0/+2
| | | | | | Closes: https://bugs.gentoo.org/715956 Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/chemical-mime-data: x86 stable wrt bug #710490Agostino Sarubbo2020-03-221-1/+1
| | | | | | Package-Manager: Portage-2.3.89, Repoman-2.3.20 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/chemical-mime-data: arm stable wrt bug #710490Agostino Sarubbo2020-03-221-1/+1
| | | | | | Package-Manager: Portage-2.3.89, Repoman-2.3.20 RepoMan-Options: --include-arches="arm" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/chemical-mime-data: Fix rsvg-convert vs convert interactionPacho Ramos2020-03-202-1/+37
| | | | | | | Thanks-to: Agostino Sarubbo Closes: https://bugs.gentoo.org/713584 Package-Manager: Portage-2.3.94, Repoman-2.3.21 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/avogadro2: Bump to 1.93.0Pacho Ramos2020-03-142-0/+57
| | | | | | | Closes: https://bugs.gentoo.org/695180 Closes: https://bugs.gentoo.org/698644 Package-Manager: Portage-2.3.93, Repoman-2.3.20 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/gnome-chemistry-utils: Needs gnome-commonPacho Ramos2020-03-111-1/+2
| | | | | | Closes: https://bugs.gentoo.org/711500 Package-Manager: Portage-2.3.93, Repoman-2.3.20 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/vmd: Fix support for current CUDA versionsPacho Ramos2020-03-082-0/+698
| | | | | Package-Manager: Portage-2.3.93, Repoman-2.3.20 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/shelx: Remove package.Ulrich Müller2020-03-063-85/+0
| | | | | Bug: https://bugs.gentoo.org/702352 Signed-off-by: Ulrich Müller <ulm@gentoo.org>
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-03-042-0/+339
| | | | | Package-Manager: Portage-2.3.88, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/pymol: pymol works with py3Alexey Shvetsov2020-03-042-1/+113
| | | | | Package-Manager: Portage-2.3.88, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gnome-chemistry-utils: Introduce gnome chemistry utilsPacho Ramos2020-03-014-0/+119
| | | | | | Closes: https://bugs.gentoo.org/388887 Package-Manager: Portage-2.3.90, Repoman-2.3.20 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/gromacs: add v2019.6Christoph Junghans2020-02-282-0/+318
| | | | | Package-Manager: Portage-2.3.84, Repoman-2.3.20 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* */*: [QA] Remove redundant --docdir/--htmldirDavid Seifert2020-02-232-8/+3
| | | | | Closes: https://github.com/gentoo/gentoo/pull/14742 Signed-off-by: David Seifert <soap@gentoo.org>
* */*: [QA] Use consistent function definition formattingDavid Seifert2020-02-2212-29/+29
| | | | Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/chemical-mime-data: amd64 stable, bug #710490Pacho Ramos2020-02-221-1/+1
| | | | | Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/gabedit: Remove last-rited pkgMichał Górny2020-02-216-229/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/ghemical: Remove last-rited pkgMichał Górny2020-02-215-136/+0
| | | | | | Closes: https://bugs.gentoo.org/353119 Closes: https://bugs.gentoo.org/435676 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/openbabel: [QA] inherit toolchain-funcs.eclass directlyDavid Seifert2020-02-132-4/+4
| | | | | Package-Manager: Portage-2.3.88, Repoman-2.3.20 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/autodock_vina: [QA] inherit toolchain-funcs.eclass directlyDavid Seifert2020-02-131-1/+1
| | | | | Package-Manager: Portage-2.3.88, Repoman-2.3.20 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/hollow: [QA] inherit vcs-clean.eclass directlyDavid Seifert2020-02-121-2/+2
| | | | | Package-Manager: Portage-2.3.88, Repoman-2.3.20 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/freeon: Remove py2 where possibleMichał Górny2020-02-101-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/nmrdepaker: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-091-9/+11
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/chemex: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-091-15/+15
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/vmd: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-094-16/+24
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/relax: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-091-17/+19
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/prodecomp: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-091-4/+6
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/gromacs: Switch to PYTHON_MULTI_USEDEP APIMichał Górny2020-02-095-6/+16
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pdb2pqr: Switch to python-single-r1Michał Górny2020-02-091-45/+27
| | | | | | Use python-single-r1 as requiered for the dep on sci-chemistry/apbs. Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/openbabel-python: Fix broken GCC version detectionDavid Seifert2020-02-091-1/+1
| | | | | | Closes: https://bugs.gentoo.org/664506 Package-Manager: Portage-2.3.87, Repoman-2.3.20 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/openbabel: Fix broken GCC version detectionDavid Seifert2020-02-091-1/+1
| | | | | | Closes: https://bugs.gentoo.org/696066 Package-Manager: Portage-2.3.87, Repoman-2.3.20 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/gmxapi: [QA] Fix UnnecessarySlashStripDavid Seifert2020-02-081-1/+1
| | | | Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/autodock_vina: Port to EAPI 7David Seifert2020-02-082-13/+27
| | | | | Package-Manager: Portage-2.3.87, Repoman-2.3.20 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/pymol: chemical-mime-data needed for .desktop Mime defsPacho Ramos2020-02-071-1/+3
| | | | | | Closes: https://bugs.gentoo.org/703000 Package-Manager: Portage-2.3.87, Repoman-2.3.20 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/chemical-mime-data: Drop problematic mime typePacho Ramos2020-02-072-0/+73
| | | | | | | Bug: https://bugs.gentoo.org/701900 Closes: https://bugs.gentoo.org/707284 Package-Manager: Portage-2.3.87, Repoman-2.3.20 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/nmrdepaker: Revbump post dep changeMichał Górny2020-01-281-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/relax: Permit scipy-python2Michał Górny2020-01-281-1/+4
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/prodecomp: Permit scipy-python2Michał Górny2020-01-281-2/+5
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/chemex: Permit scipy-python2Michał Górny2020-01-281-1/+4
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/relax: Permit matplotlib-python2Michał Górny2020-01-281-1/+4
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/nmrdepaker: Permit matplotlib-python2Michał Górny2020-01-281-1/+4
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/chemex: Permit matplotlib-python2Michał Górny2020-01-281-1/+4
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol: Remove old (drop to ~arch)Michał Górny2020-01-282-112/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/gromacs: Drop old versionAlexey Shvetsov2020-01-282-314/+0
| | | | | Package-Manager: Portage-2.3.85, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: arm stable wrt bug #703796Mikle Kolyada2020-01-271-1/+1
| | | | | | Package-Manager: Portage-2.3.84, Repoman-2.3.20 RepoMan-Options: --include-arches="arm" Signed-off-by: Mikle Kolyada <zlogene@gentoo.org>