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nixpkgs/pkgs/applications/science/chemistry
Markus Kowalewski 45083c5d1d
openmolcas: 21.10 -> 22.02
* make MPI optional instead of default
* allow optional MKL build/switch wrapped BLAS interface
2022-05-13 17:06:11 +02:00
..
avogadro
avogadro2
chemtool
cp2k
d-seams treewide: fix versions starting with 'v' 2022-02-28 13:05:18 +01:00
dkh
element
ergoscf
gwyddion gwyddion: remove useless nulls 2022-05-10 00:56:23 +03:00
jmol jmol: 14.32.39 -> 14.32.45 2022-04-04 22:28:33 +00:00
marvin marvin: 22.7.0 -> 22.8.0 2022-03-24 10:35:36 +00:00
molden molden: unbreak build, make compatible with gcc-10 2022-05-10 17:01:35 +02:00
octopus
openmolcas openmolcas: 21.10 -> 22.02 2022-05-13 17:06:11 +02:00
pymol treewide: switch all desktop file generators to new API 2022-02-25 13:40:38 -08:00
quantum-espresso
siesta siesta: fix hardcoded path to rm 2022-05-10 12:53:22 +02:00