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* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-10-274-20/+723
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.2 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/ortep3: Remove last-rited pkgMichał Górny2020-10-163-45/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/gromacs: added py39Alexey Shvetsov2020-10-146-16/+20
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/pymol: Added py39Alexey Shvetsov2020-10-141-1/+1
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/mdtraj: Works with py39Alexey Shvetsov2020-10-131-1/+1
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2020-10-102-0/+343
| | | | | Package-Manager: Portage-3.0.8, Repoman-3.0.1 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/theseus: drop old EAPI=5Aaron Bauman2020-09-243-135/+0
| | | | Signed-off-by: Aaron Bauman <bman@gentoo.org>
* sci-chemistry/vmd: Apply fixes to pluginsPacho Ramos2020-09-242-0/+610
| | | | | | | | | Adapt patch to 1.9.4 Closes: https://bugs.gentoo.org/741978 Thanks-to: Hypoon Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/ParmEd: Remove last-rited pkgMichał Górny2020-09-214-99/+0
| | | | | Closes: https://bugs.gentoo.org/718474 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/freeon: Remove last-rited pkgMichał Górny2020-09-216-277/+0
| | | | | Closes: https://bugs.gentoo.org/718476 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/openbabel-python: Remove last-rited pkgMichał Górny2020-09-214-123/+0
| | | | | Closes: https://bugs.gentoo.org/718482 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/vmd: Remove oldMichał Górny2020-09-195-734/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/molequeue: Remove oldMichał Górny2020-09-192-218/+0
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* Move {sci-libs → dev-python}/scipyMichał Górny2020-09-189-9/+9
| | | | Signed-off-by: Michał Górny <mgorny@gentoo.org>
* sci-chemistry/vmd: Allow to apply user patches in pluginsPacho Ramos2020-09-171-1/+5
| | | | | | Bug: https://bugs.gentoo.org/show_bug.cgi?id=741978 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: Pacho Ramos <pacho@gentoo.org>
* sci-chemistry/raster3d: Remove old 3.0.2, 3.0.3David Seifert2020-09-163-214/+0
| | | | | | | | Closes: https://bugs.gentoo.org/722872 Closes: https://bugs.gentoo.org/740978 Closes: https://bugs.gentoo.org/741370 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/raster3d: Version bump to 3.0.6David Seifert2020-09-162-0/+108
| | | | | Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/probe: Port to EAPI 7David Seifert2020-09-161-13/+11
| | | | | | Closes: https://bugs.gentoo.org/742014 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/surf: Port to EAPI 7David Seifert2020-09-163-22/+232
| | | | | | | Closes: https://bugs.gentoo.org/731888 Closes: https://bugs.gentoo.org/742023 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/msms-bin: Port to EAPI 7David Seifert2020-09-161-16/+12
| | | | | | Closes: https://bugs.gentoo.org/742005 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/moldy: Port to EAPI 7David Seifert2020-09-161-14/+15
| | | | | | Closes: https://bugs.gentoo.org/742002 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/mars: Port to EAPI 7David Seifert2020-09-161-9/+9
| | | | | | Closes: https://bugs.gentoo.org/741999 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/ksdssp: Port to EAPI 7David Seifert2020-09-161-12/+13
| | | | | | Closes: https://bugs.gentoo.org/741996 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/clashlist: Port to EAPI 7David Seifert2020-09-161-4/+4
| | | | | | Closes: https://bugs.gentoo.org/741993 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/suitename: Port to EAPI 7David Seifert2020-09-163-13/+74
| | | | | | Closes: https://bugs.gentoo.org/742020 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* sci-chemistry/pdbcns: Port to EAPI 7David Seifert2020-09-161-8/+7
| | | | | | Closes: https://bugs.gentoo.org/742011 Package-Manager: Portage-3.0.7, Repoman-3.0.1 Signed-off-by: David Seifert <soap@gentoo.org>
* */*: [QA] Remove redundant <longdescription/>sMichał Górny2020-09-142-6/+0
| | | | | | Signed-off-by: Michał Górny <mgorny@gentoo.org> Closes: https://github.com/gentoo/gentoo/pull/17540 Signed-off-by: Michał Górny <mgorny@gentoo.org>
* 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>