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path: root/sci-chemistry
Commit message (Collapse)AuthorAgeFilesLines
* sci-chemistry/dssp: Fix boost TR1 header includeDavid Seifert2017-09-162-13/+97
| | | | | Closes: https://bugs.gentoo.org/630776 Package-Manager: Portage-2.3.8, Repoman-2.3.3
* sci-chemistry/gromacs: version bumpChristoph Junghans2017-09-152-0/+278
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/rasmol: dropped ppc keywordsMatt Turner2017-09-121-2/+2
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* sci-chemistry/surf: dropped ppc keywordsMatt Turner2017-09-121-2/+2
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* sci-chemistry/ghemical: dropped ppc keywordsMatt Turner2017-09-121-1/+1
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* sci-chemistry/openbabel-2.4.1: dropped ppc keywords, bug 625088Matt Turner2017-09-122-2/+2
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* sci-chemistry/openbabel-perl-2.4.1: dropped ppc keywords, bug 625088Matt Turner2017-09-122-2/+2
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* sci-chemistry/openbabel-python-2.4.1: dropped ppc keywords, bug 625088Matt Turner2017-09-122-2/+2
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* sci-chemistry/avogadro: dropped ppc keywordsMatt Turner2017-09-121-1/+1
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* sci-chemistry/pdb2pqr: dropped ppc keywordsMatt Turner2017-09-121-2/+2
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* sci-chemistry/pymol: dropped ppc keywordsMatt Turner2017-09-121-1/+1
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* sci-chemistry/votca-ctp: add refChristoph Junghans2017-09-041-0/+8
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-xtp: fix doc buildChristoph Junghans2017-09-041-0/+1
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-xtp: live ebuild updateChristoph Junghans2017-09-031-7/+4
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-ctp: initial commitChristoph Junghans2017-09-032-0/+57
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-csg: live ebuild updateChristoph Junghans2017-09-032-16/+3
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-xtp: version bumpChristoph Junghans2017-09-032-0/+73
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-csgapps: version bumpChristoph Junghans2017-09-032-0/+32
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/votca-csg: version bumpChristoph Junghans2017-09-032-0/+116
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/tinker: add a blocker on sys-apps/bar.Patrice Clement2017-08-191-1/+3
| | | | | | Gentoo-Bug: https://bugs.gentoo.org/593712 Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/icm: Remove last-rited pkg, #622414Michał Górny2017-08-146-619/+0
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* sci-chemistry/ccpn: fix HOMEPAGEMichael Mair-Keimberger (asterix)2017-08-135-5/+5
| | | | Closes: https://github.com/gentoo/gentoo/pull/5315
* sci-chemistry/openbabel-python-2.4.1-r0: amd64 stableTobias Klausmann2017-07-311-1/+1
| | | | Gentoo-Bug: 625088
* sci-chemistry/openbabel-perl-2.4.1-r0: amd64 stableTobias Klausmann2017-07-311-1/+1
| | | | Gentoo-Bug: 625088
* sci-chemistry/openbabel-2.4.1-r0: amd64 stableTobias Klausmann2017-07-311-1/+1
| | | | Gentoo-Bug: 625088
* sci-chemistry/gromacs: use HTTPS for GitHub and doc linksDavid Hicks2017-07-3011-31/+31
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/ParmEd: use HTTPS for GitHub, update HOMEPAGEDavid Hicks2017-07-301-4/+2
| | | | | | | * Use HTTPS for accessing GitHub domains * Update HOMEPAGE to point of redirection Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/votca-csgapps: use HTTPS for GitHubDavid Hicks2017-07-302-3/+3
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/votca-csg: use HTTPS for GitHub and doc linksDavid Hicks2017-07-302-9/+9
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/votca-xtp: use HTTPS for GitHub and doc linksDavid Hicks2017-07-302-5/+5
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/GromacsWrapper: use HTTPS for GitHubDavid Hicks2017-07-303-12/+6
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.3
* sci-chemistry/gamessq: Remove last-rited pkg, #564104Michał Górny2017-07-053-35/+0
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* sci-chemistry/openbabel-python: fix installation in Prefix, thanks nanikata ↵Fabian Groffen2017-06-201-1/+1
| | | | | | in bug #619498 Package-Manager: Portage-2.3.6, Repoman-2.3.1
* sci-chemistry/ambertools: Remove last-rited pkg, #612740Michał Górny2017-06-154-543/+0
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* sci-chemistry/acpype: Remove last-rited pkg, #612740Michał Górny2017-06-153-48/+0
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* sci-chemistry/gamess: Remove last-rited pkg, #612742Michał Górny2017-06-156-659/+0
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* sci-chemistry/gtk-gamess: Remove last-rited pkg, #612742Michał Górny2017-06-153-45/+0
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* sci-chemistry/mead: Remove last-rited pkg, #612744Michał Górny2017-06-156-191/+0
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* sci-chemistry/xds-bin: Version BumpJustin Lecher2017-06-042-4/+4
| | | | | | | | Drop old Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=620226 Package-Manager: Portage-2.3.6, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/ball: remove bogus dev-qt/qtwebkit:4 dependencyMichael Palimaka2017-06-041-3/+2
| | | | | | Also pin media-libs/glew to the source SLOT. Package-Manager: Portage-2.3.5, Repoman-2.3.2
* sci-chemistry/pymol-plugins-dynamics: Version BumpJustin Lecher2017-06-033-46/+3
| | | | | | | Drop old Package-Manager: Portage-2.3.6, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/molsketch: Fix installation locationJustin Lecher2017-06-031-0/+1
| | | | | | Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=620494 Package-Manager: Portage-2.3.6, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/molsketch: Version BumpJustin Lecher2017-06-035-68/+52
| | | | | | Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=605870 Package-Manager: Portage-2.3.6, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/openbabel: Fix API doc installationJustin Lecher2017-06-031-1/+1
| | | | | | Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=619140 Package-Manager: Portage-2.3.6, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/ghemical: Drop oldJustin Lecher2017-06-032-55/+0
| | | | | Package-Manager: Portage-2.3.6, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/nmrglue: Support newer pythonPacho Ramos2017-05-291-2/+2
| | | | Package-Manager: Portage-2.3.6, Repoman-2.3.2
* sci-chemistry/ghemical: ppc stable wrt bug #615566Agostino Sarubbo2017-05-241-1/+1
| | | | | | Package-Manager: Portage-2.3.5, Repoman-2.3.1 RepoMan-Options: --include-arches="ppc" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/openbabel-python: Fix sandbox issueJustin Lecher2017-05-201-0/+1
| | | | | | Gentoo-Bug: https://bugs.gentoo.org/show_bug.cgi?id=618956 Package-Manager: Portage-2.3.5, Repoman-2.3.2 Signed-off-by: Justin Lecher <jlec@gentoo.org>
* sci-chemistry/ghemical: x86 stable wrt bug #615566Agostino Sarubbo2017-05-201-1/+1
| | | | | | Package-Manager: Portage-2.3.5, Repoman-2.3.1 RepoMan-Options: --include-arches="x86" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>
* sci-chemistry/ghemical: amd64 stable wrt bug #615566Agostino Sarubbo2017-05-201-1/+1
| | | | | | Package-Manager: Portage-2.3.5, Repoman-2.3.1 RepoMan-Options: --include-arches="amd64" Signed-off-by: Agostino Sarubbo <ago@gentoo.org>