Get Gentoo!
gentoo.org sites
gentoo.org Wiki Bugs Forums Packages
Planet Archives Sources
Infra Status
summaryrefslogtreecommitdiff
path: root/sci-chemistry
Commit message (Collapse)AuthorAgeFilesLines
* 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>
* sci-chemistry/votca-xtp: amd64 stable wrt bug #685046Agostino 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>
* sci-chemistry/votca-csgapps: amd64 stable wrt bug #685046Agostino 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>
* sci-chemistry/votca-csg: amd64 stable wrt bug #685046Agostino 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>
* sci-chemistry/molsketch: Fix QA issues, switch to cmake.eclass, EAPI-7Andreas Sturmlechner2020-05-211-21/+21
| | | | | | | | | | | | | Drop unused cmake vars Drop unused multilib Add missing xdg-utils and xdg_desktop_database_update Fix indendation No tests found Replace defunct sed with cmake var. Closes: https://bugs.gentoo.org/660272 Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/gperiodic: ebuild style, eutils--, DEPEND -> BDEPENDAndreas Sturmlechner2020-05-191-24/+10
| | | | | | | LINGUAS hack-- Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/gperiodic: bump to 3.0.3, EAPI=7Volkmar W. Pogatzki2020-05-192-0/+60
| | | | | | | | Closes: https://bugs.gentoo.org/707580 Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Volkmar W. Pogatzki <gentoo@pogatzki.net> Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/gperiodic: update HOMEPAGEVolkmar W. Pogatzki2020-05-192-5/+5
| | | | | | | | | SRC_URI use https for version 3.0.1 Package-Manager: Portage-2.3.89, Repoman-2.3.20 Signed-off-by: Volkmar W. Pogatzki <gentoo@pogatzki.net> Closes: https://github.com/gentoo/gentoo/pull/15296 Signed-off-by: Andreas Sturmlechner <asturm@gentoo.org>
* sci-chemistry/gromacs: drop 2019.9999 and 2018.9999Alexey Shvetsov2020-05-142-611/+0
| | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Use mainstream manualAlexey Shvetsov2020-05-144-206/+25
| | | | | | Closes: https://bugs.gentoo.org/717890 Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gromacs: Version bump to 2020.2Alexey Shvetsov2020-05-123-22/+30
| | | | | | | | | Also added custom-cflags and fixed bash-completion Closes: https://bugs.gentoo.org/687920 Closes: https://bugs.gentoo.org/711572 Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Alexey Shvetsov <alexxy@gentoo.org>
* sci-chemistry/gelemental: drop oldMatthias Maier2020-05-016-169/+0
| | | | | Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Matthias Maier <tamiko@gentoo.org>
* sci-chemistry/gelemental: use xdg-utils eclassMatthias Maier2020-05-011-5/+7
| | | | | | Closes: https://bugs.gentoo.org/720308 Package-Manager: Portage-2.3.99, Repoman-2.3.22 Signed-off-by: Matthias Maier <tamiko@gentoo.org>
* sci-chemistry/gelemental: x86 stable wrt bug #720198Agostino Sarubbo2020-05-011-1/+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/gelemental: amd64 stable wrt bug #720198Agostino Sarubbo2020-05-011-1/+1
| | | | | | Package-Manager: Portage-2.3.89, Repoman-2.3.20 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* 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>