markuskowa dcf2055eaf Merge pull request #258211 from markuskowa/fix-nwchem ... nwchem: remove test jobs from output		2023-10-02 17:29:27 +02:00
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apbs	apbs: init at 3.4.1 (#230644)	2023-05-23 01:10:16 +02:00
autodock-vina	treewide: noop: refer to src.name or similar in sourceRoot where appropriate, part 1: trivial cases	2023-08-03 16:32:03 +00:00
avogadro2
chemtool
cp2k	Merge pull request #258190 from markuskowa/fix-cp2k	2023-10-02 17:28:08 +02:00
d-seams
dkh
element	treewide: vendorSha256 → vendorHash	2023-09-13 01:03:44 -06:00
ergoscf	ergoscf: 3.8 -> 3.8.2	2023-08-23 15:05:58 +02:00
gwyddion
jmol	jmol: 16.1.39 -> 16.1.41	2023-10-02 00:01:49 +00:00
marvin
molden
mopac	mopac: 22.0.6 -> 22.1.0	2023-09-27 22:54:32 +02:00
nwchem	nwchem: remove test jobs from output	2023-09-30 16:15:37 +02:00
octopus	octopus: 12.2 -> 13.0	2023-07-06 15:25:28 +02:00
openmolcas	openmolcas: enable dmrg and nevpt2 support	2023-08-03 17:34:32 +02:00
pymol
quantum-espresso
siesta
wxmacmolplt	wxmacmolplt: fix typo	2023-05-12 10:41:17 +02:00