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
* */*: 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>
* 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>