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* sci-chemistry/vmd: Fix pkg_nofetch messagePacho Ramos2020-09-131-3/+3
| | | | | | Bug: https://bugs.gentoo.org/735462 Package-Manager: Portage-3.0.6, Repoman-3.0.1 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/molequeue: Switch to python3Pacho Ramos2020-09-121-0/+91
| | | | | | | | | | | | | | | | - Switch to python3, bug #735464 - python is not always needed, bug #710454 - Port to cmake.eclass - Drop unneeded patch that was breaking configure with tests. Restrict tests as they are broken anyway. - Update virtualx.eclass usage Bug: https://bugs.gentoo.org/735464 Closes: https://bugs.gentoo.org/741422 Closes: https://bugs.gentoo.org/710454 Thanks-to: Samuel Bauer Package-Manager: Portage-3.0.4, Repoman-3.0.1 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/vmd: Bump to 1.9.4_alpha43Pacho Ramos2020-09-094-0/+553
| | | | | | Bug: https://bugs.gentoo.org/735462 Package-Manager: Portage-3.0.4, Repoman-3.0.1 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/pymol: Inherit optfeature.eclassDavid Seifert2020-09-071-2/+2
| | | | | Package-Manager: Portage-3.0.5, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/openbabel: Inherit optfeature.eclassDavid Seifert2020-09-072-2/+2
| | | | | Package-Manager: Portage-3.0.5, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/psi: Port to EAPI 7David Seifert2020-08-295-43/+60
| | | | | | Closes: https://bugs.gentoo.org/682820 Package-Manager: Portage-3.0.4, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/chemtool: Port to EAPI 7David Seifert2020-08-294-22/+70
| | | | | | | | | | * fix `-fno-common`/GCC 10 * fix broken check target Closes: https://bugs.gentoo.org/708234 Closes: https://bugs.gentoo.org/728954 Package-Manager: Portage-3.0.4, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/chemtool: Remove oldDavid Seifert2020-08-292-57/+0
| | | | | Package-Manager: Portage-3.0.4, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/votca-xtp: version bump to 1.6.2Christoph Junghans2020-08-223-1/+47
| | | | | Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csgapps: version bump to 1.6.2Christoph Junghans2020-08-223-1/+35
| | | | | Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csg: version bump to 1.6.2Christoph Junghans2020-08-223-3/+98
| | | | | Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/chemex: Remove oldMichał Górny2020-08-202-42/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/openbabel-python: Remove py2.7Michał Górny2020-08-021-1/+1
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/pymol: Drop 2.3.0-r2Andreas Sturmlechner2020-08-021-118/+0
| | | | | Package-Manager: Portage-3.0.1, Repoman-2.3.23 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* */*: Drop more Py2 last-rited pkgsAaron Bauman2020-07-2848-1742/+0
| | | | | | | | | | | | | | | | | | | | | | | | | Bug: https://bugs.gentoo.org/715966 Closes: https://bugs.gentoo.org/714628 Closes: https://bugs.gentoo.org/606680 Closes: https://bugs.gentoo.org/686238 Closes: https://bugs.gentoo.org/710214 Closes: https://bugs.gentoo.org/710028 Closes: https://bugs.gentoo.org/710032 Closes: https://bugs.gentoo.org/656934 Closes: https://bugs.gentoo.org/592718 Closes: https://bugs.gentoo.org/446122 Closes: https://bugs.gentoo.org/547210 Closes: https://bugs.gentoo.org/359785 Closes: https://bugs.gentoo.org/571396 Closes: https://bugs.gentoo.org/600754 Closes: https://bugs.gentoo.org/677830 Closes: https://bugs.gentoo.org/710716 Closes: https://bugs.gentoo.org/651940 Closes: https://bugs.gentoo.org/695132 Closes: https://bugs.gentoo.org/708978 Closes: https://bugs.gentoo.org/710058 Signed-off-by: Aaron Bauman <bman@gentoo.org>
* */*: Drop last-rited Py2 only pkgsAaron Bauman2020-07-2716-461/+0
| | | | | | | | | | | | | | | | | Bug: https://bugs.gentoo.org/616064 Closes: https://bugs.gentoo.org/721904 Closes: https://bugs.gentoo.org/609686 Closes: https://bugs.gentoo.org/695016 Closes: https://bugs.gentoo.org/722616 Closes: https://bugs.gentoo.org/684098 Closes: https://bugs.gentoo.org/672164 Closes: https://bugs.gentoo.org/699136 Closes: https://bugs.gentoo.org/690776 Closes: https://bugs.gentoo.org/695912 Closes: https://bugs.gentoo.org/697004 Closes: https://bugs.gentoo.org/711026 Signed-off-by: Aaron Bauman <bman@gentoo.org>
* */*: drop last-rited pkgsAaron Bauman2020-07-233-114/+0
| | | | Signed-off-by: Aaron Bauman <bman@gentoo.org>
* sci-chemistry/vmd: Drop oldPacho Ramos2020-07-217-1095/+0
| | | | | Package-Manager: Portage-3.0.0, Repoman-2.3.23 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/gromacs: Migrate cmake-utils -> cmakeAlexey Shvetsov2020-07-098-87/+87
| | | | | Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-07-092-0/+343
| | | | | Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* */*: drop last-rited py2 packagesAaron Bauman2020-07-0311-444/+0
| | | | Signed-off-by: Aaron Bauman <bman@gentoo.org>
* sci-chemistry/autodock: Stop relying on python2Pacho Ramos2020-07-022-34/+46
| | | | | | | | | | Also remove false positive configure warnings (#670690) and fix typo at install time (#543270) Closes: https://bugs.gentoo.org/543270 Closes: https://bugs.gentoo.org/670690 Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/propka: Version bumpAlexey Shvetsov2020-07-013-15/+22
| | | | | Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gperiodic: Drop 2.0.10-r2 and 3.0.1Andreas Sturmlechner2020-06-307-272/+0
| | | | | | Closes: https://bugs.gentoo.org/707580 Package-Manager: Portage-2.3.103, Repoman-2.3.23 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/gperiodic: x86 stable wrt bug #707580Agostino Sarubbo2020-06-301-1/+1
| | | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/pymol-plugins-promol: update homepageAlexey Sokolov2020-06-271-2/+2
| | | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Alexey Sokolov <alexey+gentoo@asokolov.org> Signed-off-by: Andreas K. Hüttel <dilfridge@gentoo.org>
* sci-chemistry/chemical-mime-data: remove unused patchMichael Mair-Keimberger2020-06-251-30/+0
| | | | | | | Closes: https://github.com/gentoo/gentoo/pull/16344 Package-Manager: Portage-2.3.101, Repoman-2.3.22 Signed-off-by: Michael Mair-Keimberger <m.mairkeimberger@gmail.com> Signed-off-by: Conrad Kostecki <conikost@gentoo.org>
* sci-chemistry/gperiodic: amd64 stable wrt bug #707580Agostino Sarubbo2020-06-221-1/+1
| | | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2020-06-212-0/+46
| | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2020-06-212-0/+34
| | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/votca-csg: version bumpChristoph Junghans2020-06-212-0/+95
| | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Christoph Junghans <junghans@gentoo.org>
* sci-chemistry/cara-bin: move away from virtual/libstdc++Sergei Trofimovich2020-06-211-2/+2
| | | | | Package-Manager: Portage-2.3.101, Repoman-2.3.22 Signed-off-by: Sergei Trofimovich <slyfox@gentoo.org>
* sci-chemistry/nmrdepaker: Remove last-rited packageAndreas Sturmlechner2020-06-183-49/+0
| | | | | Closes: https://bugs.gentoo.org/705650 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/mdtraj: Bump to 1.9.4Pacho Ramos2020-06-132-0/+44
| | | | | | | Closes: https://bugs.gentoo.org/711696 Closes: https://bugs.gentoo.org/718478 Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/gromacs: add missing flag-o-matic inheritMichael Mair-Keimberger2020-06-132-2/+2
| | | | | | | Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Michael Mair-Keimberger <m.mairkeimberger@gmail.com> Signed-off-by: Mike Gilbert <floppym@gentoo.org> Closes: https://github.com/gentoo/gentoo/pull/16189
* sci-chemistry/nmrglue: Bump to 0.7Pacho Ramos2020-06-132-0/+26
| | | | | | Closes: https://bugs.gentoo.org/718480 Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/chemex: Bump to 2018.10.3Pacho Ramos2020-06-132-0/+43
| | | | | Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/GromacsWrapper: Don't install tests packagePacho Ramos2020-06-072-1/+21
| | | | | | | | | Also run tests Thanks-to: Tupone Alfredo Closes: https://bugs.gentoo.org/701784 Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/chemex: Bump to 2018.10.2Pacho Ramos2020-06-073-0/+59
| | | | | | Closes: https://bugs.gentoo.org/705648 Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/mopac7: Drop 1.15Andreas Sturmlechner2020-06-041-74/+0
| | | | | Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/mopac7: x86 stable wrt bug #724152Agostino Sarubbo2020-06-041-1/+1
| | | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/votca-xtp: x86 stable wrt bug #685046Agostino Sarubbo2020-06-041-2/+2
| | | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/votca-csgapps: x86 stable wrt bug #685046Agostino Sarubbo2020-06-041-2/+2
| | | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/votca-csg: x86 stable wrt bug #685046Agostino Sarubbo2020-06-041-2/+2
| | | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/pymol: Works with py38Alexey Shvetsov2020-06-041-1/+1
| | | | | Package-Manager: Portage-2.3.100, Repoman-2.3.22 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/mopac7: amd64 stable wrt bug #724152Agostino Sarubbo2020-05-291-1/+1
| | | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/mopac7: stable 1.15-r1 for ppc, bug #724152Sergei Trofimovich2020-05-251-2/+2
| | | | | | Package-Manager: Portage-2.3.100, Repoman-2.3.22 RepoMan-Options: --include-arches="ppc" Signed-off-by: Sergei Trofimovich <slyfox@gentoo.org>
* sci-chemistry/mustang: Drop 3.2.1Andreas Sturmlechner2020-05-212-49/+0
| | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/mustang: x86 stable wrt bug #724158Agostino Sarubbo2020-05-211-1/+1
| | | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/mustang: amd64 stable wrt bug #724158Agostino Sarubbo2020-05-211-2/+2
| | | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>