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path: root/pkgs/applications/science/chemistry
AgeCommit message (Expand)Author
5 dayslib.platforms.mesaPlatforms: removeAlyssa Ross
5 daysnwchem: 7.2.2 -> 7.2.3 (#338408)Markus Kowalewski
6 daysnwchem: 7.2.2 -> 7.2.3Markus Kowalewski
10 daysMerge pull request #332992 from markuskowa/upd-cp2kMarkus Kowalewski
2024-08-18gwyddion: remove with statementsPhilip Taron
2024-08-16marvin: remove 'with lib;'Felix Buehler
2024-08-13pymol: use python311PackagesRobert Schütz
2024-08-07cp2k: add support for dftd4 dispersion correctionsMarkus Kowalewski
2024-08-07cp2k: 24.1 -> 24.2Markus Kowalewski
2024-08-04jmol: 16.2.19 -> 16.2.21R. Ryantm
2024-07-26Merge pull request #328741 from Sigmanificient/remove-unused-arguments-pkgs-appAleksana
2024-07-26pkgs/applications: remove unused argumentsSigmanificient
2024-07-25jmol: update hashMauricio Collares
2024-07-22jmol: 16.2.17 -> 16.2.19R. Ryantm
2024-07-16maintainers: remove cgeConstantine Evans
2024-07-13treewide: sha256 -> hash attribute for gitlab.com fetchersaleksana
2024-06-18openmolcas: 24.02 -> 24.06Phillip Seeber
2024-06-10Merge pull request #315778 from r-ryantm/auto-update/gwyddionWeijia Wang
2024-06-10Merge pull request #318493 from r-ryantm/auto-update/jmol7c6f434c
2024-06-09treewide: Remove the definite article from meta.descriptionAlexis Hildebrandt
2024-06-09treewide: Remove indefinite article from meta.descriptionAlexis Hildebrandt
2024-06-09jmol: 16.2.15 -> 16.2.17R. Ryantm
2024-06-04gwyddion: 2.65 -> 2.66R. Ryantm
2024-05-20treewide: remove unused occurence of fetchurl argumentSigmanificient
2024-05-15cp2k: remove dev inputs from dependeciesMarkus Kowalewski
2024-05-12Merge pull request #308430 from r-ryantm/auto-update/jmolMauricio Collares
2024-05-10octopus: 14.0 -> 14.1R. Ryantm
2024-05-10jmol: 16.1.63 -> 16.2.15R. Ryantm
2024-05-01Merge branch 'master' into staging-nextK900
2024-05-01pymol: remove no longer needed `disableHardening`samlich
2024-05-01pymol: add natsukium as maintainernatsukium
2024-05-01pymol: enable testsnatsukium
2024-04-27treewide: wrapGAppsHook → wrapGAppsHook3Jan Tojnar
2024-04-20pymol: modernizenatsukium
2024-04-20pymol: 2.5.0 -> 3.0.0natsukium
2024-03-30Merge pull request #299989 from markuskowa/upd-octopusmarkuskowa
2024-03-29octopus: 13.0 -> 14.0, switch to cmakeMarkus Kowalewski
2024-03-28Merge pull request #296812 from aaronjheng/gwyddionWeijia Wang
2024-03-19treewide: add meta.mainProgram to packages with a single binarystuebinm
2024-03-18gwyddion: remove broken python supportAaron Jheng
2024-03-09treewide: fix sourceRoot for fetchgit-based srcYueh-Shun Li
2024-03-08jmol: 16.1.53 -> 16.1.63R. Ryantm
2024-02-20Merge pull request #288514 from sheepforce/avogadro2markuskowa
2024-02-20openmolcas: 23.10 -> 24.02Phillip Seeber
2024-02-15openmolcas: bump boost versionWeijia Wang
2024-02-14avogadro2: 1.98.1 -> 1.99.0Phillip Seeber
2024-02-07jmol: 16.1.51 -> 16.1.53R. Ryantm
2024-01-30Merge pull request #284940 from r-ryantm/auto-update/mopacmarkuskowa
2024-01-30octopus: add mpi and libvdwxc supportPhillip Seeber
2024-01-30mopac: 22.1.0 -> 22.1.1R. Ryantm
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