Madoura 9709e96e1e treewide: make 'gpuBackend' use 'config.(cuda|rocm)Support'		2023-11-14 08:44:42 -06:00
..
apbs	apbs: fix py311 build	2023-10-06 03:45:57 +03:00
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	treewide: move NIX_CFLAGS_COMPILE to the env attrset	2023-02-22 21:23:04 +02:00
cp2k	treewide: make 'gpuBackend' use 'config.(cuda|rocm)Support'	2023-11-14 08:44:42 -06:00
d-seams	treewide: Rename libyamlcpp* to yaml-cpp*	2023-01-31 16:22:54 +01:00
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	gwyddion: 2.63 -> 2.64	2023-11-04 09:13:11 -07:00
jmol	jmol: 16.1.41 -> 16.1.43	2023-10-27 19:51:26 +00:00
marvin	marvin: sha256 -> hash	2023-10-13 00:00:21 +02:00
molden
mopac	mopac: 22.0.6 -> 22.1.0	2023-09-27 22:54:32 +02:00
nwchem	nwchem: 7.2.1 -> 7.2.2	2023-11-05 14:08:05 +01:00
octopus	octopus: 12.2 -> 13.0	2023-07-06 15:25:28 +02:00
openmolcas	openmolcas: replace texlive.combined.scheme-minimal with texliveMinimal	2023-11-05 11:56:03 +00:00
pymol	pymol: remove broken mark for darwin	2023-04-01 20:41:01 +09:00
quantum-espresso
siesta	siesta: fix typos	2023-05-09 18:02:16 +04:00
wxmacmolplt	wxmacmolplt: fix linking	2023-10-05 18:09:35 +02:00