Markus Kowalewski dad3ce4398 cp2k: fix libxsmm includes (use getDev)		2023-09-30 23:28:31 +02:00
..
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	treewide: move NIX_CFLAGS_COMPILE to the env attrset	2023-02-22 21:23:04 +02:00
cp2k	cp2k: fix libxsmm includes (use getDev)	2023-09-30 23:28:31 +02:00
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
jmol	jmol: 16.1.35 -> 16.1.39	2023-09-19 08:55:58 +00:00
marvin	marvin: 22.13.0 -> 23.4.0	2023-03-21 07:22:28 +00:00
molden
mopac	mopac: 22.0.6 -> 22.1.0	2023-09-27 22:54:32 +02:00
nwchem	nwchem: use mpiCheckPhaseHook	2023-08-22 23:27:47 +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	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 typo	2023-05-12 10:41:17 +02:00