summaryrefslogtreecommitdiff
path: root/pkgs/development/libraries/science/chemistry
AgeCommit message (Expand)Author
2026-05-07python3Packages.simple-dftd3: adapt python build to mesonPhillip Seeber
2026-05-06simple-dftd3: 1.2.1 -> 1.3.2Phillip Seeber
2026-04-13molequeue: migrate to by-namechillcicada
2026-04-13avogadrolibs: migrate to by-namechillcicada
2026-04-10avogadrolibs: 1.103.0 -> 2.0.0Phillip Seeber
2026-02-18avogadrolibs: 1.102.1 -> 1.103.0Phillip Seeber
2026-01-12treewide: change 'format = "other";' to 'pyproject = false;'Michael Daniels
2025-12-10treewide: clean up 'meta = with' patternIhar Hrachyshka
2025-10-29avogadrolibs: 1.101.0 -> 1.102.1Phillip Seeber
2025-10-22molequeue: fix build with cmake4Rafael Ieda
2025-10-06python3Packages.simple-dftd3: fix installation of parameter filePhillip Seeber
2025-09-26Merge remote-tracking branch 'origin/master' into staging-nextK900
2025-09-25various: remove superflous usages of pnameGuy Chronister
2025-09-18Merge staging-next into stagingnixpkgs-ci[bot]
2025-09-18openbabel: unstable-06-12-23 -> 3.1.1-unstable-2024-12-21Emily
2025-09-17Merge staging-next into stagingnixpkgs-ci[bot]
2025-09-17avogadro2: 1.100.0 -> 1.101.0 (#443357)Markus Kowalewski
2025-09-17msgpack: drop (#443007)K900
2025-09-16avogadrolibs: 1.100.0 -> 1.101.0Phillip Seeber
2025-09-15avogadrolibs: drop unused `msgpack` dependencyEmily
2025-09-12dftd4/sirius/tblite: clean up, remove unneeded codeMarkus Kowalewski
2025-08-25tblite: 0.4.0 -> 0.5.0Phillip Seeber
2025-08-25tblite: add option to build with cmake in addition to mesonPhillip Seeber
2025-08-25simple-dftd3: add option to build with cmake in addition to mesonPhillip Seeber
2025-07-02treewide: add explicit format attribute for Python packagesMartin Weinelt
2025-04-08Revert "treewide: replace `rev` with `tag`"Winter
2025-04-07treewide: replace `rev` with `tag`Pol Dellaiera
2025-03-13treewide: remove unused argumentsSigmanificient
2025-02-03avogadrolibs: 1.99.0 -> 1.100.0Phillip Seeber
2024-12-20python3Packages.tblite: add setuptools for python 3.11Phillip Seeber
2024-12-18tblite: 0.3.0 -> 0.4.0Phillip Seeber
2024-12-10treewide: format all inactive Nix filesSilvan Mosberger
2024-12-07python312Packages.simple-dftd3: 1.2.0 -> 1.2.1R. Ryantm
2024-11-09treewide: migrate packages to pkgs/by-name, take 1aleksana
2024-10-29python312Packages.simple-dftd3: 1.1.1 -> 1.2.0R. Ryantm
2024-09-19simple-dftd3: 1.1.0 -> 1.1.1R. Ryantm
2024-09-04plumed: 2.9.1 -> 2.9.2R. Ryantm
2024-08-29mctc-lib: 0.3.1 -> 0.3.2R. Ryantm
2024-08-07dftd4: fix installation path of Fortran headersMarkus Kowalewski
2024-08-04Merge pull request #330564 from r-ryantm/auto-update/simple-dftd3tomberek
2024-08-03pkgs/development: remove unused argumentsSigmanificient
2024-07-28simple-dftd3: 1.0.0 -> 1.1.0R. Ryantm
2024-07-13Merge staging-next into staginggithub-actions[bot]
2024-07-12openmm: 8.1.1 -> 8.1.2R. Ryantm
2024-06-30treewide: use addDriverRunpathSefa Eyeoglu
2024-06-17harminv: fix wrong hash (copy of libgdsii)Phillip Seeber
2024-06-14mstore: 0.2.0 -> 0.3.0R. Ryantm
2024-06-10Merge pull request #316947 from r-ryantm/auto-update/plumedPeder Bergebakken Sundt
2024-06-09treewide: Remove indefinite article from meta.descriptionAlexis Hildebrandt
2024-06-03plumed: 2.9.0 -> 2.9.1R. Ryantm
generated by cgit v1.2.3 (git 2.25.1) at 2026-05-24 12:14:06 +0000