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path: root/pkgs/applications/science/chemistry
Commit message (Expand)AuthorAge
* jmol: 14.32.30 -> 14.32.33R. Ryantm2022-03-13
* jmol: 14.32.28 -> 14.32.30R. Ryantm2022-03-08
* marvin: 22.3.0 -> 22.7.0R. Ryantm2022-03-06
* jmol: 14.32.24 -> 14.32.28R. Ryantm2022-03-03
* treewide: fix versions starting with 'v'Felix Buehler2022-02-28
* treewide: switch all desktop file generators to new APIK9002022-02-25
* jmol: 14.32.21 -> 14.32.24R. Ryantm2022-02-24
* Merge pull request #159540 from r-ryantm/auto-update/marvinMario Rodas2022-02-19
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| * marvin: 21.20.0 -> 22.3.0R. Ryantm2022-02-12
* | Merge pull request #156420 from azuwis/transfigSandro2022-02-16
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| * | chemtool: Set platforms to linuxZhong Jianxin2022-02-15
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* / jmol: 14.32.6 -> 14.32.21R. Ryantm2022-02-15
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* molden: fix download URLMarkus Kowalewski2022-01-20
* cp2k: 8.2.0 -> 9.1.0Phillip Seeber2022-01-10
* jmol: 14.32.2 -> 14.32.6R. Ryantm2021-12-30
* marvin: 21.18.0 -> 21.20.0R. Ryantm2021-12-25
* Merge pull request #150031 from r-ryantm/auto-update/jmolRyan Mulligan2021-12-11
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| * jmol: 14.31.49 -> 14.32.2R. Ryantm2021-12-10
* | Merge pull request #150121 from markuskowa/fix-cp2kJörg Thalheim2021-12-11
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| * | cp2k: make elpa optionalMarkus Kowalewski2021-12-10
* | | Merge pull request #150124 from r-ryantm/auto-update/gwyddionJörg Thalheim2021-12-11
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| * | gwyddion: 2.59 -> 2.60R. Ryantm2021-12-10
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* / marvin: 21.9.0 -> 21.18.0R. Ryantm2021-12-09
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* cp2k: build with elpaMarkus Kowalewski2021-12-02
* octopus: 11.2 -> 11.3Markus Kowalewski2021-11-28
* Merge pull request #145614 from sheepforce/openmolcasmarkuskowa2021-11-12
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| * openmolcas: 20.06 -> 20.10Phillip Seeber2021-11-12
* | octopus: 10.5 -> 11.2Phillip Seeber2021-11-12
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* pkgs/applications: rename name to pname&version part 2Felix Buehler2021-11-07
* Merge pull request #140975 from sheepforce/avogadro2-updatesmarkuskowa2021-10-08
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| * avogadro2: initialise a translation repoPhillip Seeber2021-10-08
| * avogadro2: 1.94.0 -> 1.95.1Phillip Seeber2021-10-08
* | siesta: 4.1-b3 -> 4.1.5Bruno Bzeznik2021-10-05
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* Merge staging-next into staginggithub-actions[bot]2021-09-17
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| * Merge pull request #138061 from Stunkymonkey/switch-fetchFromGitLabRobert Scott2021-09-16
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| | * quantum-espresso: switch to fetchFromGitLabFelix Buehler2021-09-15
* | | Merge staging-next into staginggithub-actions[bot]2021-09-16
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| * | octopus: add CPU optimization flagsMarkus Kowalewski2021-09-16
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* | siesta: move gfortran to nativeBuildInputsMarkus Kowalewski2021-09-03
* | quantum-espresso: move gfortran to nativeBuildInputsMarkus Kowalewski2021-09-03
* | openmolcas: move gfortran to nativeBuildInputsMarkus Kowalewski2021-09-03
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* pymol: 2.3.0 -> 2.5.0Vladimir Serov2021-08-19
* jmol: 14.31.46 -> 14.31.49R. RyanTM2021-08-09
* Merge pull request #130359 from sheepforce/avogadro2Sandro2021-08-08
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| * avogadro2: init at 1.94.0Phillip Seeber2021-07-27
* | openmolcas: 21.02 -> 21.06Markus Kowalewski2021-08-05
* | ergoscf: init at 3.8Markus Kowalewski2021-08-04
* | Merge remote-tracking branch 'upstream/master' into staging-nextFrederik Rietdijk2021-07-26
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| * jmol: 14.31.44 -> 14.31.46R. RyanTM2021-07-24
* | Merge staging-next into staginggithub-actions[bot]2021-07-12
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