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nixpkgs/pkgs/applications/science/chemistry
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stuebinm ff1a94e523 treewide: add meta.mainProgram to packages with a single binary 
The nixpkgs-unstable channel's programs.sqlite was used to identify
packages producing exactly one binary, and these automatically added
to their package definitions wherever possible.
2024-03-19 03:14:51 +01:00
..
apbs treewide: add meta.mainProgram to packages with a single binary 2024-03-19 03:14:51 +01:00
autodock-vina treewide: fix sourceRoot for fetchgit-based src 2024-03-09 07:53:25 +08:00
avogadro2 treewide: add meta.mainProgram to packages with a single binary 2024-03-19 03:14:51 +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 treewide: add meta.mainProgram to packages with a single binary 2024-03-19 03:14:51 +01:00
dkh
element treewide: add meta.mainProgram to packages with a single binary 2024-03-19 03:14:51 +01:00
ergoscf treewide: add meta.mainProgram to packages with a single binary 2024-03-19 03:14:51 +01:00
gwyddion gwyddion: 2.64 -> 2.65 2024-01-05 05:30:02 +00:00
jmol treewide: add meta.mainProgram to packages with a single binary 2024-03-19 03:14:51 +01:00
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 treewide: add meta.mainProgram to packages with a single binary 2024-03-19 03:14:51 +01:00
octopus octopus: add mpi and libvdwxc support 2024-01-30 10:55:41 +01:00
openmolcas openmolcas: 23.10 -> 24.02 2024-02-20 10:41:51 +01:00
pymol treewide: add meta.mainProgram to packages with a single binary 2024-03-19 03:14:51 +01:00
quantum-espresso quantum-espresso: 6.6 -> 7.2 2023-12-04 17:08:07 +01:00
siesta treewide: add meta.mainProgram to packages with a single binary 2024-03-19 03:14:51 +01:00
wxmacmolplt treewide: add meta.mainProgram to packages with a single binary 2024-03-19 03:14:51 +01:00