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* 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>
* sci-chemistry/chemex: Revbump post dep changeMichał Górny2020-01-221-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/nmrdepaker: Revbump post dep changeMichał Górny2020-01-221-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pdb2pqr: Revbump post dep changeMichał Górny2020-01-221-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol: Revbump post dep changeMichał Górny2020-01-222-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/relax: Revbump post dep changeMichał Górny2020-01-221-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/vmd: Revbump post dep changeMichał Górny2020-01-221-0/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/relax: Use HTTPSMichał Górny2020-01-161-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol: Use HTTPSMichał Górny2020-01-162-4/+4
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pdb2pqr: Use HTTPSMichał Górny2020-01-161-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/nmrglue: Use HTTPSMichał Górny2020-01-161-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/vmd: Permit numpy-python2Michał Górny2020-01-164-8/+20
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/relax: Permit numpy-python2Michał Górny2020-01-161-2/+5
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol: Permit numpy-python2Michał Górny2020-01-162-2/+8
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pdb2pqr: Permit numpy-python2Michał Górny2020-01-161-2/+5
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/ParmEd: Remove Python 2Michał Górny2020-01-162-2/+2
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/nmrglue: Remove Python 2Michał Górny2020-01-161-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/nmrdepaker: Permit numpy-python2Michał Górny2020-01-161-2/+5
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/GromacsWrapper: Remove Python 2Michał Górny2020-01-161-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/chemex: Permit numpy-python2Michał Górny2020-01-161-2/+5
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/votca-ctp: live ebuild removal due missing depsChristoph Junghans2020-01-121-71/+0
| | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2020-01-123-34/+50
| | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2020-01-123-3/+37
| | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csg: version bumpChristoph Junghans2020-01-123-11/+98
| | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csg: fix depsChristoph Junghans2020-01-122-4/+4
| | | | | | Closes: https://bugs.gentoo.org/705202 Package-Manager: Portage-2.3.79, Repoman-2.3.16 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/gromacs: amd64 stable wrt bug #703796Agostino Sarubbo2020-01-091-2/+2
| | | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* */*: Clean PYTHON_COMPAT of obsolete implsMichał Górny2020-01-0513-23/+23
| | | | | Closes: https://github.com/gentoo/gentoo/pull/14246 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/gromacs: Fix bashcomp installAlexey Shvetsov2020-01-032-2/+2
| | | | | Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-01-024-15/+401
| | | | | Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Drop old versionsAlexey Shvetsov2020-01-022-274/+0
| | | | | Package-Manager: Portage-2.3.83, Repoman-2.3.20 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: arm stable wrt bug #703794Agostino Sarubbo2020-01-011-2/+2
| | | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="arm" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/xyza2pipe: use ASCII whitespaceSergei Trofimovich2019-12-301-2/+2
| | | | | Package-Manager: Portage-2.3.84, Repoman-2.3.20 Signed-off-by: Sergei Trofimovich <slyfox@gentoo.org>
* sci-chemistry/gromacs: x86 stable wrt bug #703796Agostino Sarubbo2019-12-301-1/+1
| | | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/gromacs: x86 stable wrt bug #703794Agostino Sarubbo2019-12-301-1/+1
| | | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/mdtraj: Drop python2_7Andreas Sturmlechner2019-12-291-2/+1
| | | | | Package-Manager: Portage-2.3.84, Repoman-2.3.20 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/gmxapi: Drop python2_7Andreas Sturmlechner2019-12-291-1/+1
| | | | | Package-Manager: Portage-2.3.84, Repoman-2.3.20 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/gromacs: amd64 stable wrt bug #703794Agostino Sarubbo2019-12-271-1/+1
| | | | | | Package-Manager: Portage-2.3.79, Repoman-2.3.16 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>