R. Ryantm 469c60a3f5 jmol: 16.1.51 -> 16.1.53		2024-02-07 06:40:55 +00:00
..
apbs	apbs: fix build with clang 16	2023-11-01 00:34:30 +01:00
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	avogadro2: 1.97.0 -> 1.98.1	2023-12-18 14:21:12 +01:00
chemtool	treewide: move NIX_CFLAGS_COMPILE to the env attrset	2023-02-22 21:23:04 +02:00
cp2k	cp2k: 2023.2 -> 2024.1	2024-01-09 16:44:06 +01:00
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	gwyddion: 2.64 -> 2.65	2024-01-05 05:30:02 +00:00
jmol	jmol: 16.1.51 -> 16.1.53	2024-02-07 06:40:55 +00:00
marvin	marvin: pin openjdk17	2024-01-25 08:59:41 +01:00
molden	molden: disable parallel building	2024-01-19 17:17:06 +01:00
mopac	mopac: 22.1.0 -> 22.1.1	2024-01-30 06:46:10 +00:00
nwchem	nwchem: 7.2.1 -> 7.2.2	2023-11-05 14:08:05 +01:00
octopus	octopus: add mpi and libvdwxc support	2024-01-30 10:55:41 +01:00
openmolcas	openmolcas: fix pyparsing >= 3.11 compatibility	2024-01-22 15:09:57 +01:00
pymol	python311Packages.pyqt5-sip: rename from pyqt5_sip	2024-01-10 22:49:05 +01:00
quantum-espresso	quantum-espresso: 6.6 -> 7.2	2023-12-04 17:08:07 +01:00
siesta	siesta: fix typos	2023-05-09 18:02:16 +04:00
wxmacmolplt	wxmacmolplt: 7.7.2 -> 7.7.3	2024-01-04 05:15:19 +00:00