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2022-03-13jmol: 14.32.30 -> 14.32.33R. Ryantm1-2/+2
2022-03-08jmol: 14.32.28 -> 14.32.30R. Ryantm1-2/+2
2022-03-06marvin: 22.3.0 -> 22.7.0R. Ryantm1-2/+2
2022-03-03jmol: 14.32.24 -> 14.32.28R. Ryantm1-2/+2
2022-02-28treewide: fix versions starting with 'v'Felix Buehler1-2/+2
2022-02-25treewide: switch all desktop file generators to new APIK9002-4/+20
2022-02-24jmol: 14.32.21 -> 14.32.24R. Ryantm1-2/+2
2022-02-19Merge pull request #159540 from r-ryantm/auto-update/marvinMario Rodas1-2/+2
2022-02-16Merge pull request #156420 from azuwis/transfigSandro1-0/+1
2022-02-15chemtool: Set platforms to linuxZhong Jianxin1-0/+1
2022-02-15jmol: 14.32.6 -> 14.32.21R. Ryantm1-2/+2
2022-02-12marvin: 21.20.0 -> 22.3.0R. Ryantm1-2/+2
2022-01-20molden: fix download URLMarkus Kowalewski1-1/+1
2022-01-10cp2k: 8.2.0 -> 9.1.0Phillip Seeber1-3/+5
2021-12-30jmol: 14.32.2 -> 14.32.6R. Ryantm1-2/+2
2021-12-25marvin: 21.18.0 -> 21.20.0R. Ryantm1-2/+2
2021-12-11Merge pull request #150031 from r-ryantm/auto-update/jmolRyan Mulligan1-2/+2
2021-12-11Merge pull request #150121 from markuskowa/fix-cp2kJörg Thalheim1-6/+7
2021-12-11Merge pull request #150124 from r-ryantm/auto-update/gwyddionJörg Thalheim1-2/+2
2021-12-10gwyddion: 2.59 -> 2.60R. Ryantm1-2/+2
2021-12-10cp2k: make elpa optionalMarkus Kowalewski1-6/+7
2021-12-10jmol: 14.31.49 -> 14.32.2R. Ryantm1-2/+2
2021-12-09marvin: 21.9.0 -> 21.18.0R. Ryantm1-2/+2
2021-12-02cp2k: build with elpaMarkus Kowalewski1-5/+6
2021-11-28octopus: 11.2 -> 11.3Markus Kowalewski1-2/+2
2021-11-12Merge pull request #145614 from sheepforce/openmolcasmarkuskowa1-4/+6
2021-11-12openmolcas: 20.06 -> 20.10Phillip Seeber1-4/+6
2021-11-12octopus: 10.5 -> 11.2Phillip Seeber1-2/+2
2021-11-07pkgs/applications: rename name to pname&version part 2Felix Buehler1-2/+3
2021-10-08Merge pull request #140975 from sheepforce/avogadro2-updatesmarkuskowa1-3/+15
2021-10-08avogadro2: initialise a translation repoPhillip Seeber1-1/+13
2021-10-08avogadro2: 1.94.0 -> 1.95.1Phillip Seeber1-2/+2
2021-10-05siesta: 4.1-b3 -> 4.1.5Bruno Bzeznik1-7/+10
2021-09-17Merge staging-next into staginggithub-actions[bot]1-10/+17
2021-09-16Merge pull request #138061 from Stunkymonkey/switch-fetchFromGitLabRobert Scott1-11/+18
2021-09-16Merge staging-next into staginggithub-actions[bot]1-2/+10
2021-09-16octopus: add CPU optimization flagsMarkus Kowalewski1-2/+10
2021-09-15quantum-espresso: switch to fetchFromGitLabFelix Buehler1-11/+18
2021-09-03siesta: move gfortran to nativeBuildInputsMarkus Kowalewski1-1/+3
2021-09-03quantum-espresso: move gfortran to nativeBuildInputsMarkus Kowalewski1-2/+4
2021-09-03openmolcas: move gfortran to nativeBuildInputsMarkus Kowalewski1-2/+8
2021-08-19pymol: 2.3.0 -> 2.5.0Vladimir Serov1-9/+19
2021-08-09jmol: 14.31.46 -> 14.31.49R. RyanTM1-2/+2
2021-08-08Merge pull request #130359 from sheepforce/avogadro2Sandro1-0/+37
2021-08-05openmolcas: 21.02 -> 21.06Markus Kowalewski1-3/+3
2021-08-04ergoscf: init at 3.8Markus Kowalewski2-0/+59
2021-07-27avogadro2: init at 1.94.0Phillip Seeber1-0/+37
2021-07-26Merge remote-tracking branch 'upstream/master' into staging-nextFrederik Rietdijk1-2/+2
2021-07-24jmol: 14.31.44 -> 14.31.46R. RyanTM1-2/+2
2021-07-12Merge staging-next into staginggithub-actions[bot]1-5/+10