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Commit Graph

253 Commits (d1b77f990ff0933c167ead787253b4a7120d62bd)

Author SHA1 Message Date
Sergei Trofimovich ff22bc1ff6 chemtool: add -fcommon workaround
2 years ago
Markus Kowalewski 45083c5d1d
openmolcas: 21.10 -> 22.02
2 years ago
Markus Kowalewski 1e2065983e
octopus: 11.3 -> 11.4
2 years ago
Markus Kowalewski 5fd7f4ef82
molden: unbreak build, make compatible with gcc-10
2 years ago
Markus Kowalewski de869f039d
siesta: fix hardcoded path to rm
2 years ago
Artturin 5007ea281d gwyddion: remove useless nulls
2 years ago
Markus Kowalewski a5e2f0f410
siesta: fix build for gcc/gfortran-10/11
2 years ago
R. Ryantm 1f032adb49 jmol: 14.32.39 -> 14.32.45
2 years ago
R. Ryantm a7f7b6977f marvin: 22.7.0 -> 22.8.0
2 years ago
R. Ryantm a4bf7fed59 jmol: 14.32.33 -> 14.32.39
2 years ago
R. Ryantm 6d61669d69 jmol: 14.32.30 -> 14.32.33
2 years ago
R. Ryantm e0c3da7946 jmol: 14.32.28 -> 14.32.30
2 years ago
R. Ryantm f3288c60f0 marvin: 22.3.0 -> 22.7.0
2 years ago
R. Ryantm f5258a7d12 jmol: 14.32.24 -> 14.32.28
2 years ago
Felix Buehler 1573dbdcd0 treewide: fix versions starting with 'v'
2 years ago
K900 cb2cfba6f7 treewide: switch all desktop file generators to new API
2 years ago
R. Ryantm 1b8518cadd jmol: 14.32.21 -> 14.32.24
2 years ago
Zhong Jianxin 507b23f0d1 chemtool: Set platforms to linux
2 years ago
R. Ryantm 099fefbceb jmol: 14.32.6 -> 14.32.21
2 years ago
R. Ryantm 983beb2b8b marvin: 21.20.0 -> 22.3.0
2 years ago
Markus Kowalewski bb6bc8b315
molden: fix download URL
2 years ago
Phillip Seeber afdfec504f cp2k: 8.2.0 -> 9.1.0
2 years ago
R. Ryantm edceb1ed24 jmol: 14.32.2 -> 14.32.6
2 years ago
R. Ryantm c89a5a2e6a marvin: 21.18.0 -> 21.20.0
2 years ago
R. Ryantm 7bbf6a048b gwyddion: 2.59 -> 2.60
3 years ago
Markus Kowalewski 6d1f54dc5d
cp2k: make elpa optional
3 years ago
R. Ryantm a1fa86e691 jmol: 14.31.49 -> 14.32.2
3 years ago
R. Ryantm 806d3e25cd marvin: 21.9.0 -> 21.18.0
3 years ago
Markus Kowalewski 53f32adc65 cp2k: build with elpa
3 years ago
Markus Kowalewski 8fb36866b8
octopus: 11.2 -> 11.3
3 years ago
Phillip Seeber c810f7befc openmolcas: 20.06 -> 20.10
3 years ago
Phillip Seeber ca7dd700e5 octopus: 10.5 -> 11.2
3 years ago
Felix Buehler b52ab3b712 pkgs/applications: rename name to pname&version part 2
3 years ago
Phillip Seeber aa02e7f828 avogadro2: initialise a translation repo
3 years ago
Phillip Seeber 181689dfea avogadro2: 1.94.0 -> 1.95.1
3 years ago
Bruno Bzeznik fe36d93cea siesta: 4.1-b3 -> 4.1.5
3 years ago
Markus Kowalewski bd69f3d627
octopus: add CPU optimization flags
3 years ago
Felix Buehler 64bac8e874 quantum-espresso: switch to fetchFromGitLab
3 years ago
Markus Kowalewski d5c38a0d5c
siesta: move gfortran to nativeBuildInputs
3 years ago
Markus Kowalewski 9eb814fd96
quantum-espresso: move gfortran to nativeBuildInputs
3 years ago
Markus Kowalewski eecadd3f3b
openmolcas: move gfortran to nativeBuildInputs
3 years ago
Vladimir Serov 8992ae0cff
pymol: 2.3.0 -> 2.5.0
3 years ago
R. RyanTM 72a522e795 jmol: 14.31.46 -> 14.31.49
3 years ago
Markus Kowalewski d26039d43b
openmolcas: 21.02 -> 21.06
3 years ago
Markus Kowalewski 7d3b20253f
ergoscf: init at 3.8
3 years ago
Phillip Seeber 9504a98c32 avogadro2: init at 1.94.0
3 years ago
R. RyanTM 4e5b3b49e4 jmol: 14.31.44 -> 14.31.46
3 years ago
Markus Kowalewski 77be900d67
octopus: cleanup derivation
3 years ago
Markus Kowalewski 0a1167fd0b
octopus: 10.3 -> 10.5
3 years ago
Phillip Seeber e503e43a03 cp2k: init at 8.2.0
3 years ago