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2020-10-19openmolcas: 19.11 -> 20.10Markus Kowalewski2-20/+11
2020-10-19openmolcas: fix build w.r.t. openblasMarkus Kowalewski2-2/+18
2020-09-23jmol: 14.31.2 -> 14.31.3R. RyanTM1-2/+2
2020-08-26marvin: 20.16.0 -> 20.17.0R. RyanTM1-2/+2
2020-08-15d-seams: init at 1.0.1Rohit Goswami1-0/+34
2020-08-09Merge pull request #94779 from r-ryantm/auto-update/marvinRyan Mulligan1-2/+2
2020-08-07octopus: 9.2 -> 10.0Markus Kowalewski1-2/+2
2020-08-06marvin: 20.15.0 -> 20.16.0R. RyanTM1-2/+2
2020-07-09Merge pull request #92796 from r-ryantm/auto-update/jmolTimo Kaufmann1-2/+2
2020-07-09jmol: 14.31.0 -> 14.31.2R. RyanTM1-2/+2
2020-07-07gwyddion: 2.55 -> 2.56R. RyanTM1-2/+2
2020-07-05marvin: 20.13.0 -> 20.15.0R. RyanTM1-2/+2
2020-06-10Merge pull request #90045 from r-ryantm/auto-update/marvinRyan Mulligan1-2/+2
2020-06-10marvin: 20.12.0 -> 20.13.0R. RyanTM1-2/+2
2020-06-10jmol: 14.30.2 -> 14.31.0R. RyanTM1-2/+2
2020-06-06molden: 6.2 -> 6.3Markus Kowalewski1-2/+2
2020-05-27marvin: 20.10.0 -> 20.12.0R. RyanTM1-2/+2
2020-05-06marvin: 20.9.0 -> 20.10.0R. RyanTM1-2/+2
2020-04-20blas,lapack: use isILP64 instead of is64bitMatthew Bauer1-1/+1
2020-04-17treewide: use blas and lapackMatthew Bauer4-11/+15
2020-04-10treewide: Per RFC45, remove all unquoted URLsMichael Reilly8-9/+9
2020-04-01gwyddion: add darwin supportConstantine Glen Evans1-3/+3
2020-03-30marvin: 20.6.0 -> 20.9.0R. RyanTM1-3/+3
2020-03-27gwyddion: 2.48 -> 2.55 (and add options)Constantine Glen Evans2-9/+84
2020-03-03Merge pull request #81604 from markuskowa/upd-octopusmarkuskowa1-2/+2
2020-03-03Merge pull request #80977 from r-ryantm/auto-update/quantum-espressomarkuskowa1-3/+3
2020-03-03octopus: 9.1 -> 9.2Markus Kowalewski1-2/+2
2020-03-02marvin: 20.4.0 -> 20.6.0Brenton Horne1-2/+2
2020-02-24quantum-espresso: 6.4.1 -> 6.5R. RyanTM1-3/+3
2020-02-10marvin: 20.3.0 -> 20.4.0Brenton Horne1-3/+3
2020-02-08marvin: 19.27.0 -> 20.3.0R. RyanTM1-2/+2
2020-02-01jmol: 14.30.1 -> 14.30.2R. RyanTM1-2/+2
2020-01-25pymol: cleanupsamlich1-4/+5
2020-01-24pymol: link desktop iconsamlich1-2/+6
2020-01-24pymol: add samlich as maintainersamlich1-0/+1
2020-01-24pymol: 2.1.0 -> 2.3.0samlich1-17/+16
2020-01-07openmolcas: 18.09 -> 19.11Markus Kowalewski1-3/+13
2020-01-04Merge pull request #76311 from r-ryantm/auto-update/marvinmarkuskowa1-2/+2
2019-12-25marvin: 19.25.0 -> 19.27.0Markus Kowalewski1-2/+2
2019-12-23marvin: 19.23.0 -> 19.25.0R. RyanTM1-2/+2
2019-12-23jmol: 14.30.0 -> 14.30.1R. RyanTM1-2/+2
2019-12-08Merge pull request #75245 from r-ryantm/auto-update/jmolmarkuskowa1-2/+2
2019-12-08jmol: 14.29.55 -> 14.30.0R. RyanTM1-2/+2
2019-12-07marvin: 19.1.0 -> 19.23.0R. RyanTM1-2/+2
2019-11-19Merge staging-next into stagingFrederik Rietdijk1-1/+1
2019-11-18treewide: Get rid of libGLU_combinedadisbladis1-3/+3
2019-11-16Treewide: fix URL permanent redirectsc0bw3b1-1/+1
2019-11-02jmol: 14.29.54 -> 14.29.55R. RyanTM1-2/+2
2019-10-22jmol: 14.29.53 -> 14.29.54R. RyanTM1-2/+2
2019-10-08treewide: mark some broken packages as brokenLinus Heckemann1-0/+1