Phillip Seeber eacf49d19e openmolcas: enable dmrg and nevpt2 support		2023-08-03 17:34:32 +02:00
..
apbs	apbs: init at 3.4.1 (#230644)	2023-05-23 01:10:16 +02:00
autodock-vina	autodock-vina: 1.2.3 -> 1.2.5	2023-07-04 13:13:22 +00:00
avogadro	treewide: move NIX_CFLAGS_COMPILE to the env attrset	2023-02-22 21:23:04 +02:00
avogadro2
chemtool	treewide: move NIX_CFLAGS_COMPILE to the env attrset	2023-02-22 21:23:04 +02:00
cp2k	cp2k: 2023.1 -> 2023.2	2023-07-31 12:33:37 +02:00
d-seams	treewide: Rename libyamlcpp* to yaml-cpp*	2023-01-31 16:22:54 +01:00
dkh
element
ergoscf	ergoscf: disable fortify3 hardening flag	2023-07-12 21:32:09 -07:00
gwyddion
jmol	jmol: 16.1.9 -> 16.1.13	2023-06-09 20:47:32 +00:00
marvin	marvin: 22.13.0 -> 23.4.0	2023-03-21 07:22:28 +00:00
molden
mopac	mopac: init at 22.0.6	2023-02-06 16:54:14 +01:00
nwchem	nwchem: enable new features (dftd3, libxc, plumed)	2023-05-08 14:24:07 +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