about summary refs log tree commit diff
path: root/pkgs/applications/science/chemistry
Commit message (Expand)AuthorAge
* Merge master into staging-nextgithub-actions[bot]2021-01-10
|\
| * octopus: 10.0 -> 10.3Markus Kowalewski2021-01-09
| * octopus: update licensesMarkus Kowalewski2021-01-09
* | Merge staging-next into stagingFrederik Rietdijk2021-01-04
|\|
| * Merge pull request #107223 from markuskowa/upd-qemarkuskowa2021-01-04
| |\
| | * quantum-espresso: 6.5 -> 6.6Markus Kowalewski2020-12-19
* | | treewide: remove enableParallelBuilding = true if using cmakeBen Siraphob2021-01-03
|/ /
* | openmolcas: set platform to x86-64-linuxMarkus Kowalewski2020-12-26
* | openmolcas: fix fallout from #83888Markus Kowalewski2020-12-26
|/
* openmolcas: fix hashMarkus Kowalewski2020-11-30
* jmol: 14.31.17 -> 14.31.18R. RyanTM2020-11-28
* Merge pull request #104083 from timokau/sage-maintainers-teamTimo Kaufmann2020-11-19
|\
| * maintainers: create sage teamTimo Kaufmann2020-11-18
* | marvin: 20.19.0 -> 20.20.0R. RyanTM2020-11-18
|/
* jmol: 14.31.14 -> 14.31.17R. RyanTM2020-11-13
* Merge pull request #102582 from r-ryantm/auto-update/marvinRyan Mulligan2020-11-03
|\
| * marvin: 20.17.0 -> 20.19.0R. RyanTM2020-11-03
* | jmol: 14.31.3 -> 14.31.14R. RyanTM2020-11-02
|/
* openmolcas: 19.11 -> 20.10Markus Kowalewski2020-10-19
* openmolcas: fix build w.r.t. openblasMarkus Kowalewski2020-10-19
* jmol: 14.31.2 -> 14.31.3R. RyanTM2020-09-23
* marvin: 20.16.0 -> 20.17.0R. RyanTM2020-08-26
* d-seams: init at 1.0.1Rohit Goswami2020-08-15
* Merge pull request #94779 from r-ryantm/auto-update/marvinRyan Mulligan2020-08-09
|\
| * marvin: 20.15.0 -> 20.16.0R. RyanTM2020-08-06
* | octopus: 9.2 -> 10.0Markus Kowalewski2020-08-07
|/
* Merge pull request #92796 from r-ryantm/auto-update/jmolTimo Kaufmann2020-07-09
|\
| * jmol: 14.31.0 -> 14.31.2R. RyanTM2020-07-09
* | gwyddion: 2.55 -> 2.56R. RyanTM2020-07-07
* | marvin: 20.13.0 -> 20.15.0R. RyanTM2020-07-05
|/
* Merge pull request #90045 from r-ryantm/auto-update/marvinRyan Mulligan2020-06-10
|\
| * marvin: 20.12.0 -> 20.13.0R. RyanTM2020-06-10
* | jmol: 14.30.2 -> 14.31.0R. RyanTM2020-06-10
|/
* molden: 6.2 -> 6.3Markus Kowalewski2020-06-06
* marvin: 20.10.0 -> 20.12.0R. RyanTM2020-05-27
* marvin: 20.9.0 -> 20.10.0R. RyanTM2020-05-06
* blas,lapack: use isILP64 instead of is64bitMatthew Bauer2020-04-20
* treewide: use blas and lapackMatthew Bauer2020-04-17
* treewide: Per RFC45, remove all unquoted URLsMichael Reilly2020-04-10
* gwyddion: add darwin supportConstantine Glen Evans2020-04-01
* marvin: 20.6.0 -> 20.9.0R. RyanTM2020-03-30
* gwyddion: 2.48 -> 2.55 (and add options)Constantine Glen Evans2020-03-27
* Merge pull request #81604 from markuskowa/upd-octopusmarkuskowa2020-03-03
|\
| * octopus: 9.1 -> 9.2Markus Kowalewski2020-03-03
* | Merge pull request #80977 from r-ryantm/auto-update/quantum-espressomarkuskowa2020-03-03
|\ \ | |/ |/|
| * quantum-espresso: 6.4.1 -> 6.5R. RyanTM2020-02-24
* | marvin: 20.4.0 -> 20.6.0Brenton Horne2020-03-02
|/
* marvin: 20.3.0 -> 20.4.0Brenton Horne2020-02-10
* marvin: 19.27.0 -> 20.3.0R. RyanTM2020-02-08
* jmol: 14.30.1 -> 14.30.2R. RyanTM2020-02-01