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nixpkgs/pkgs/applications/science/chemistry
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avogadro
avogadro2
chemtool
cp2k
d-seams
dkh
element
ergoscf
gwyddion
jmol
marvin
molden
octopus octopus: add CPU optimization flags 2021-09-16 12:53:47 +02:00
openmolcas openmolcas: move gfortran to nativeBuildInputs 2021-09-03 13:33:31 +02:00
pymol pymol: 2.3.0 -> 2.5.0 2021-08-19 10:16:38 +03:00
quantum-espresso Merge staging-next into staging 2021-09-17 00:02:15 +00:00
siesta siesta: 4.1-b3 -> 4.1.5 2021-10-05 22:46:40 +02:00