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* sci-chemistry/avogadro: remove last rited packageMikle Kolyada2018-05-089-250/+0
| | | | | | Closes: https://bugs.gentoo.org/645030 Closes: https://bugs.gentoo.org/447532 Closes: https://bugs.gentoo.org/649500
* sci-chemistry/openbabel: allow gcc-8, bug #654800Sergei Trofimovich2018-05-062-1/+17
| | | | | | | | | | | openbabel explicitly whitelists list of major GCC versions. The change by Milan allow gcc-8. Newer upstream versions fixed the code to handle in in a more generic way: https://github.com/openbabel/openbabel/commit/00120f89cf62b121c30d0b2a891b159e19b53624 Fixed-by: milan hodoscek Closes: https://bugs.gentoo.org/654800 Package-Manager: Portage-2.3.36, Repoman-2.3.9
* sci-chemistry/chemex: Introduce chemexPacho Ramos2018-05-023-0/+40
| | | | Package-Manager: Portage-2.3.31, Repoman-2.3.9
* sci-chemistry/ball: Drop old Qt4-basedAndreas Sturmlechner2018-04-2113-426/+0
| | | | | Closes: https://bugs.gentoo.org/639000 Package-Manager: Portage-2.3.31, Repoman-2.3.9
* sci-chemistry/ball: Add 1.5.0_pre20180419 Qt5-based snapshotAndreas Sturmlechner2018-04-214-10/+472
| | | | | Bug: https://bugs.gentoo.org/639000 Package-Manager: Portage-2.3.31, Repoman-2.3.9
* sci-chemistry/mpqc: Remove oldDavid Seifert2018-04-173-300/+0
| | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9
* sci-chemistry/ghemical: Drop stable keywordsDavid Seifert2018-04-171-5/+5
| | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9
* sci-chemistry/elem: Port to EAPI 6David Seifert2018-04-174-44/+92
| | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9
* sci-chemistry/prekin: Port to EAPI 6David Seifert2018-04-171-21/+17
| | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9
* sci-chemistry/avogadro2: Fix build with Qt 5.11_beta3Andreas Sturmlechner2018-04-172-0/+36
| | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9
* sci-chemistry/molequeue: 0.9.0 version bump, build with Qt-5.11_beta3Andreas Sturmlechner2018-04-173-0/+217
| | | | Package-Manager: Portage-2.3.29, Repoman-2.3.9
* sci-chemistry/avogadro2: Drop 0.9.0, fails to buildAndreas Sturmlechner2018-04-082-52/+0
| | | | | Bug: https://bugs.gentoo.org/649864 Package-Manager: Portage-2.3.28, Repoman-2.3.9
* sci-chemistry/avogadro2: Add 1.90.0_p20180211 snapshotAndreas Sturmlechner2018-04-082-0/+60
| | | | | Closes: https://bugs.gentoo.org/649864 Package-Manager: Portage-2.3.28, Repoman-2.3.9
* sci-chemistry/massxpert: Remove last-rited packageAndreas Sturmlechner2018-04-034-155/+0
| | | | Closes: https://bugs.gentoo.org/645436
* sci-chemistry/gsim: Remove last-rited packageAndreas Sturmlechner2018-04-035-209/+0
| | | | | Closes: https://bugs.gentoo.org/514438 Closes: https://bugs.gentoo.org/644522
* sci-chemistry/PyMca: Remove last-rited packageAndreas Sturmlechner2018-04-034-79/+0
| | | | | Closes: https://bugs.gentoo.org/649094 Closes: https://bugs.gentoo.org/645218
* sci-chemistry/pymol: Version bumpAlexey Shvetsov2018-03-292-0/+114
| | | | Package-Manager: Portage-2.3.24, Repoman-2.3.6
* Remove masked for removal packagesPacho Ramos2018-03-113-81/+0
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* sci-chemistry/bkchem: Fix dep on dev-python/pycairoMichał Górny2018-03-031-2/+2
| | | | | Fix the dependency on dev-python/pycairo not to reference the obsolete 'svg' flag.
* sci-chemistry/gromacs: add new versionAlexey Shvetsov2018-02-182-0/+278
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* profiles: Remove last-rited packagesAndreas Sturmlechner2018-02-123-58/+0
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* sci-chemistry/gromacs: version bumpChristoph Junghans2018-01-192-0/+274
| | | | Package-Manager: Portage-2.3.13, Repoman-2.3.3
* sci-chemistry/avogadro: Drop oldAndreas Sturmlechner2018-01-195-169/+0
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/avogadro: Add xdg-utilsAndreas Sturmlechner2018-01-161-1/+11
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/avogadro: 1.2.0_p20170207 version bumpAndreas Sturmlechner2018-01-163-0/+94
| | | | | | | Thanks-to: Michelangelo Scopelliti <kernelpanic@gmx.it> Closes: https://bugs.gentoo.org/594630 Closes: https://bugs.gentoo.org/604604 Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/avogadro: Drop oldAndreas Sturmlechner2018-01-145-188/+0
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/avogadro: Fix cmake w/ >=GCC-6Andreas Sturmlechner2018-01-142-1/+25
| | | | | | | Using the upstream patch, even if it is not the proper solution. Closes: https://bugs.gentoo.org/619544 Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/molequeue: EAPI 6, missing depsAndreas Sturmlechner2018-01-141-8/+9
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/molequeue: Fix cmake errorAndreas Sturmlechner2018-01-142-0/+111
| | | | | Closes: https://bugs.gentoo.org/596972 Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/molequeue: Fix HOMEPAGEAndreas Sturmlechner2018-01-141-2/+2
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/gperiodic: Test LINGUAS rather than linguas_* USE flags.Ulrich Müller2018-01-061-3/+2
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/massxpert: Remove linguas_* from IUSE.Ulrich Müller2018-01-051-5/+1
| | | | Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/gromacs: version bumpChristoph Junghans2017-12-312-2/+2
| | | | Package-Manager: Portage-2.3.13, Repoman-2.3.3
* sci-chemistry/xdsstat-bin: Bump to new hash algosJustin Lecher2017-12-181-2/+2
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/namd: Switch back to tar.gzJustin Lecher2017-12-182-2/+2
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/namd: Drop old patchesJustin Lecher2017-12-181-151/+0
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/namd: Bump to EAPI=6Justin Lecher2017-12-185-123/+24
| | | | | | | | | | | * drop old * Fix for new RPC siutation * fix for new hash algos Closes: https://bugs.gentoo.org/638354 Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/tinker: Version BumpJustin Lecher2017-12-185-38/+24
| | | | | | Closes: https://bugs.gentoo.org/640608 Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/xdsstat-bin: Version BumpJustin Lecher2017-12-181-2/+2
| | | | | | Closes: https://bugs.gentoo.org/586508 Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/shelx: Update to latest hashing algosJustin Lecher2017-12-181-18/+18
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/pymol-plugins-caver: Update to latest hashing algosJustin Lecher2017-12-181-1/+1
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/platon: Update to latest hashing algosJustin Lecher2017-12-181-1/+1
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/procheck: Update to latest hashing algosJustin Lecher2017-12-181-3/+3
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/parassign: Update to latest hashing algosJustin Lecher2017-12-181-1/+1
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/cyana: Update to latest hashing algosJustin Lecher2017-12-181-1/+1
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/cns: Update to latest hashing algosJustin Lecher2017-12-181-4/+4
| | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6
* sci-chemistry/aria: Update to latest hashing algosJustin Lecher2017-12-181-1/+1
| | | | | | Signed-off-by: Justin Lecher <jlec@gentoo.org> Package-Manager: Portage-2.3.19, Repoman-2.3.6 RepoMan-Options: --force
* sci-chemistry/molmol-2k_p2-r5: amd64 stableTobias Klausmann2017-12-161-1/+1
| | | | Gentoo-Bug: http://bugs.gentoo.org/630350
* sci-chemistry/gromacs: Version bumpAlexey Shvetsov2017-12-123-77/+2
| | | | Package-Manager: Portage-2.3.13, Repoman-2.3.4
* sci-chemistry/molmol: x86 stable (bug #630350)Thomas Deutschmann2017-12-121-1/+1
| | | | Package-Manager: Portage-2.3.16, Repoman-2.3.6