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2023-02-22treewide: move NIX_CFLAGS_COMPILE to the env attrsetArtturin3-3/+3
2023-02-14jmol: 14.32.83 -> 16.1.3R. Ryantm1-2/+2
2023-02-07Merge branch 'master' into staging-nextVladimír Čunát1-0/+194
2023-02-07nwchem: init at 7.0.2Phillip Seeber1-0/+194
2023-02-07Merge master into staging-nextgithub-actions[bot]2-0/+84
2023-02-06Merge pull request #214931 from sheepforce/wxmacmolpltmarkuskowa1-0/+41
2023-02-06mopac: init at 22.0.6Phillip Seeber1-0/+43
2023-02-06wxmacmolplt: init at 7.7.2Phillip Seeber1-0/+41
2023-02-02Merge master into staging-nextgithub-actions[bot]1-2/+2
2023-01-31treewide: Rename libyamlcpp* to yaml-cpp*OPNA26081-2/+2
2023-01-30octopus: use lib.getXArtturin1-4/+4
2023-01-14cp2k: 2022.2 -> 2023.1R. Ryantm1-2/+2
2023-01-10jmol: 14.32.76 -> 14.32.83R. Ryantm1-2/+2
2022-12-13treewide: mark packages broken that never built on PLATFORMRick van Schijndel1-0/+2
2022-11-15Merge pull request #201383 from yurket/d-seams_zhf_fixSergei Trofimovich1-1/+8
2022-11-15d-seams: fix failing buildsyurket1-1/+8
2022-11-14element: mark as broken on darwinAaron Jheng1-1/+2
2022-11-03octopus: add arpack ILP64 checkMarkus Kowalewski1-0/+1
2022-11-01element: 1.0.0 -> 1.0.1R. Ryantm1-3/+3
2022-10-24Merge pull request #197390 from markuskowa/upd-openmolcasmarkuskowa1-3/+3
2022-10-23openmolcas: 22.06 -> 22.10Markus Kowalewski1-3/+3
2022-10-23octopus: 12.0 -> 12.1Markus Kowalewski1-2/+2
2022-10-05jmol: 14.32.75 -> 14.32.76R. Ryantm1-2/+2
2022-10-04Merge pull request #194421 from sheepforce/avogadro2markuskowa1-2/+2
2022-10-04avogadro2: 1.95.1 -> 1.97.0Phillip Seeber1-2/+2
2022-10-04cp2k: 9.1.0 -> 2022.2Phillip Seeber1-2/+2
2022-10-03Merge pull request #192660 from samlich/masterDmitry Kalinkin1-6/+8
2022-10-03octopus: 11.4 -> 12.0Markus Kowalewski1-2/+2
2022-09-25jmol: 14.32.74 -> 14.32.75R. Ryantm1-2/+2
2022-09-23pymol: use Qt instead of Tk; fixes #192555samlich1-6/+8
2022-09-12jmol: 14.32.73 -> 14.32.74R. Ryantm1-2/+2
2022-09-01jmol: 14.32.68 -> 14.32.73R. Ryantm1-2/+2
2022-08-28Merge pull request #184218 from r-ryantm/auto-update/gwyddionJonas Heinrich1-2/+2
2022-08-25Merge pull request #184365 from r-ryantm/auto-update/marvinJonas Heinrich1-2/+2
2022-08-16jmol: 14.32.66 -> 14.32.68R. Ryantm1-2/+2
2022-07-31marvin: 22.8.0 -> 22.13.0R. Ryantm1-2/+2
2022-07-31jmol: 14.32.45 -> 14.32.66R. Ryantm1-2/+2
2022-07-31gwyddion: 2.60 -> 2.61R. Ryantm1-2/+2
2022-06-17openmolcas: 22.02 -> 22.06Markus Kowalewski1-3/+9
2022-06-04treewide: set sourceProvenance for packages containing downloaded jarsRobert Scott1-0/+1
2022-05-29treewide: pkgs/applications: mark broken for darwinRick van Schijndel1-1/+3
2022-05-13chemtool: add -fcommon workaroundSergei Trofimovich1-0/+6
2022-05-13Merge pull request #172868 from markuskowa/upd-molcasmarkuskowa2-17/+57
2022-05-13openmolcas: 21.10 -> 22.02Markus Kowalewski2-17/+57
2022-05-11octopus: 11.3 -> 11.4Markus Kowalewski1-2/+2
2022-05-10molden: unbreak build, make compatible with gcc-10Markus Kowalewski1-1/+5
2022-05-10siesta: fix hardcoded path to rmMarkus Kowalewski1-0/+4
2022-05-10Merge pull request #172250 from Artturin/ridofnullsArtturi1-27/+13
2022-05-10gwyddion: remove useless nullsArtturin1-27/+13
2022-05-09siesta: fix build for gcc/gfortran-10/11Markus Kowalewski1-4/+10
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