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2021-01-04Merge pull request #107223 from markuskowa/upd-qemarkuskowa
2020-12-26openmolcas: set platform to x86-64-linuxMarkus Kowalewski
2020-12-26openmolcas: fix fallout from #83888Markus Kowalewski
2020-12-19quantum-espresso: 6.5 -> 6.6Markus Kowalewski
2020-11-30openmolcas: fix hashMarkus Kowalewski
2020-11-28jmol: 14.31.17 -> 14.31.18R. RyanTM
2020-11-19Merge pull request #104083 from timokau/sage-maintainers-teamTimo Kaufmann
2020-11-18marvin: 20.19.0 -> 20.20.0R. RyanTM
2020-11-18maintainers: create sage teamTimo Kaufmann
2020-11-13jmol: 14.31.14 -> 14.31.17R. RyanTM
2020-11-03Merge pull request #102582 from r-ryantm/auto-update/marvinRyan Mulligan
2020-11-03marvin: 20.17.0 -> 20.19.0R. RyanTM
2020-11-02jmol: 14.31.3 -> 14.31.14R. RyanTM
2020-10-19openmolcas: 19.11 -> 20.10Markus Kowalewski
2020-10-19openmolcas: fix build w.r.t. openblasMarkus Kowalewski
2020-09-23jmol: 14.31.2 -> 14.31.3R. RyanTM
2020-08-26marvin: 20.16.0 -> 20.17.0R. RyanTM
2020-08-15d-seams: init at 1.0.1Rohit Goswami
2020-08-09Merge pull request #94779 from r-ryantm/auto-update/marvinRyan Mulligan
2020-08-07octopus: 9.2 -> 10.0Markus Kowalewski
2020-08-06marvin: 20.15.0 -> 20.16.0R. RyanTM
2020-07-09Merge pull request #92796 from r-ryantm/auto-update/jmolTimo Kaufmann
2020-07-09jmol: 14.31.0 -> 14.31.2R. RyanTM
2020-07-07gwyddion: 2.55 -> 2.56R. RyanTM
2020-07-05marvin: 20.13.0 -> 20.15.0R. RyanTM
2020-06-10Merge pull request #90045 from r-ryantm/auto-update/marvinRyan Mulligan
2020-06-10marvin: 20.12.0 -> 20.13.0R. RyanTM
2020-06-10jmol: 14.30.2 -> 14.31.0R. RyanTM
2020-06-06molden: 6.2 -> 6.3Markus Kowalewski
2020-05-27marvin: 20.10.0 -> 20.12.0R. RyanTM
2020-05-06marvin: 20.9.0 -> 20.10.0R. RyanTM
2020-04-20blas,lapack: use isILP64 instead of is64bitMatthew Bauer
2020-04-17treewide: use blas and lapackMatthew Bauer
2020-04-10treewide: Per RFC45, remove all unquoted URLsMichael Reilly
2020-04-01gwyddion: add darwin supportConstantine Glen Evans
2020-03-30marvin: 20.6.0 -> 20.9.0R. RyanTM
2020-03-27gwyddion: 2.48 -> 2.55 (and add options)Constantine Glen Evans
2020-03-03Merge pull request #81604 from markuskowa/upd-octopusmarkuskowa
2020-03-03Merge pull request #80977 from r-ryantm/auto-update/quantum-espressomarkuskowa
2020-03-03octopus: 9.1 -> 9.2Markus Kowalewski
2020-03-02marvin: 20.4.0 -> 20.6.0Brenton Horne
2020-02-24quantum-espresso: 6.4.1 -> 6.5R. RyanTM
2020-02-10marvin: 20.3.0 -> 20.4.0Brenton Horne
2020-02-08marvin: 19.27.0 -> 20.3.0R. RyanTM
2020-02-01jmol: 14.30.1 -> 14.30.2R. RyanTM
2020-01-25pymol: cleanupsamlich
2020-01-24pymol: link desktop iconsamlich
2020-01-24pymol: add samlich as maintainersamlich
2020-01-24pymol: 2.1.0 -> 2.3.0samlich
2020-01-07openmolcas: 18.09 -> 19.11Markus Kowalewski
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