| Age | Commit message (Collapse) | Author | Files | Lines | |
|---|---|---|---|---|---|
| 2024-06-18 | openmolcas: 24.02 -> 24.06 | Phillip Seeber | 1 | -2/+2 | |
| 2024-06-10 | Merge pull request #315778 from r-ryantm/auto-update/gwyddion | Weijia Wang | 1 | -2/+2 | |
| gwyddion: 2.65 -> 2.66 | |||||
| 2024-06-10 | Merge pull request #318493 from r-ryantm/auto-update/jmol | 7c6f434c | 1 | -2/+2 | |
| jmol: 16.2.15 -> 16.2.17 | |||||
| 2024-06-09 | treewide: Remove the definite article from meta.description | Alexis Hildebrandt | 1 | -1/+1 | |
| nix run nixpkgs#silver-searcher -- -G '\.nix$' -0l 'description.*"([Tt]he)? ' pkgs \ | xargs -0 nix run nixpkgs#gnused -- -i '' -Ee 's/(description.*")[Tt]he (.)/\1\U\2/' | |||||
| 2024-06-09 | treewide: Remove indefinite article from meta.description | Alexis Hildebrandt | 3 | -3/+3 | |
| nix run nixpkgs#silver-searcher -- -G '\.nix$' -0l 'description.*"[Aa]n?' pkgs \ | xargs -0 nix run nixpkgs#gnused -- -i '' -Ee 's/(description.*")[Aa]n? (.)/\1\U\2/' | |||||
| 2024-06-09 | jmol: 16.2.15 -> 16.2.17 | R. Ryantm | 1 | -2/+2 | |
| 2024-06-04 | gwyddion: 2.65 -> 2.66 | R. Ryantm | 1 | -2/+2 | |
| 2024-05-20 | treewide: remove unused occurence of fetchurl argument | Sigmanificient | 1 | -1/+0 | |
| 2024-05-15 | cp2k: remove dev inputs from dependecies | Markus Kowalewski | 2 | -4/+50 | |
| 2024-05-12 | Merge pull request #308430 from r-ryantm/auto-update/jmol | Mauricio Collares | 1 | -2/+2 | |
| jmol: 16.1.63 -> 16.2.15 | |||||
| 2024-05-10 | octopus: 14.0 -> 14.1 | R. Ryantm | 1 | -2/+2 | |
| 2024-05-10 | jmol: 16.1.63 -> 16.2.15 | R. Ryantm | 1 | -2/+2 | |
| 2024-05-01 | Merge branch 'master' into staging-next | K900 | 1 | -10/+52 | |
| 2024-05-01 | pymol: remove no longer needed `disableHardening` | samlich | 1 | -1/+0 | |
| 2024-05-01 | pymol: add natsukium as maintainer | natsukium | 1 | -1/+1 | |
| 2024-05-01 | pymol: enable tests | natsukium | 1 | -0/+36 | |
| 2024-04-27 | treewide: wrapGAppsHook → wrapGAppsHook3 | Jan Tojnar | 1 | -2/+2 | |
| This was achieved using the following command: sd 'wrapGAppsHook\b' wrapGAppsHook3 (rg -l 'wrapGAppsHook\b') And then manually reverted the following changes: - alias in top-level.nix - function name in wrap-gapps-hook.sh - comment in postFixup of at-spi2-core - comment in gtk4 - comment in preFixup of 1password-gui/linux.nix - comment in postFixup of qgis/unwrapped-ltr.nix and qgis/unwrapped.nix - comment in postFixup of telegram-desktop - comment in postFixup of fwupd - buildCommand of mongodb-compass - postFixup of xflux-gui - comment in a patch in kdePackages.kde-gtk-config and plasma5Packages.kde-gtk-config - description of programs.sway.wrapperFeatures.gtk NixOS option (manual rebuild) | |||||
| 2024-04-20 | pymol: modernize | natsukium | 1 | -6/+13 | |
| 2024-04-20 | pymol: 2.5.0 -> 3.0.0 | natsukium | 1 | -2/+2 | |
| Diff: https://github.com/schrodinger/pymol-open-source/compare/v2.5.0...v3.0.0 | |||||
| 2024-03-30 | Merge pull request #299989 from markuskowa/upd-octopus | markuskowa | 1 | -28/+16 | |
| octopus: 13.0 -> 14.0, fix scalapack | |||||
| 2024-03-29 | octopus: 13.0 -> 14.0, switch to cmake | Markus Kowalewski | 1 | -28/+16 | |
| 2024-03-28 | Merge pull request #296812 from aaronjheng/gwyddion | Weijia Wang | 1 | -8/+0 | |
| gwyddion: remove broken python support | |||||
| 2024-03-19 | treewide: add meta.mainProgram to packages with a single binary | stuebinm | 10 | -0/+10 | |
| 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. | |||||
| 2024-03-18 | gwyddion: remove broken python support | Aaron Jheng | 1 | -8/+0 | |
| 2024-03-09 | treewide: fix sourceRoot for fetchgit-based src | Yueh-Shun Li | 1 | -4/+4 | |
| According to Nixpkgs manual[1] and NixOS 23.11 Release Note[2], the `sourceRoot` attribute passed to `stdenv.mkDerivation` should be specified as `"${src.name}"` or `"${src.name}/subdir"` when `src` is produced using `fetchgit`-based fetchers. `sourceRoot = "source"` or `sourceRoot = "source/subdir"` is based on the assumption that the `name` attribute of these pre-unpacked fetchers are always `"source"`, which is not the case. Expecting constant `name` also makes the source FODs prone to irrelevent hashes during version bumps. [1]: https://nixos.org/manual/nixpkgs/unstable/#var-stdenv-sourceRoot [2]: https://nixos.org/manual/nixos/stable/release-notes#sec-release-23.11 | |||||
| 2024-03-08 | jmol: 16.1.53 -> 16.1.63 | R. Ryantm | 1 | -2/+2 | |
| 2024-02-20 | Merge pull request #288514 from sheepforce/avogadro2 | markuskowa | 1 | -3/+3 | |
| avogadro2: 1.98.1 -> 1.99.0 | |||||
| 2024-02-20 | openmolcas: 23.10 -> 24.02 | Phillip Seeber | 2 | -45/+4 | |
| 2024-02-15 | openmolcas: bump boost version | Weijia Wang | 1 | -3/+3 | |
| 2024-02-14 | avogadro2: 1.98.1 -> 1.99.0 | Phillip Seeber | 1 | -3/+3 | |
| 2024-02-07 | jmol: 16.1.51 -> 16.1.53 | R. Ryantm | 1 | -2/+2 | |
| 2024-01-30 | Merge pull request #284940 from r-ryantm/auto-update/mopac | markuskowa | 1 | -2/+2 | |
| mopac: 22.1.0 -> 22.1.1 | |||||
| 2024-01-30 | octopus: add mpi and libvdwxc support | Phillip Seeber | 1 | -7/+41 | |
| 2024-01-30 | mopac: 22.1.0 -> 22.1.1 | R. Ryantm | 1 | -2/+2 | |
| 2024-01-28 | jmol: 16.1.49 -> 16.1.51 | R. Ryantm | 1 | -2/+2 | |
| 2024-01-25 | Merge master into staging-next | github-actions[bot] | 1 | -4/+4 | |
| 2024-01-25 | octopus: fixup build by adding `which` | Vladimír Čunát | 1 | -1/+2 | |
| https://hydra.nixos.org/build/247364187/nixlog/1/tail | |||||
| 2024-01-25 | marvin: pin openjdk17 | Weijia Wang | 1 | -2/+2 | |
| 2024-01-25 | marvin: 23.12.0 -> 23.17.0 | R. Ryantm | 1 | -2/+2 | |
| 2024-01-23 | jmol: 16.1.47 -> 16.1.49 | R. Ryantm | 1 | -2/+2 | |
| 2024-01-22 | Merge pull request #282890 from sheepforce/molcas-fix | markuskowa | 2 | -0/+40 | |
| openmolcas: fix pyparsing >= 3.11 compatibility | |||||
| 2024-01-22 | openmolcas: fix pyparsing >= 3.11 compatibility | Phillip Seeber | 2 | -0/+40 | |
| 2024-01-20 | Merge pull request #278851 from r-ryantm/auto-update/gwyddion | Weijia Wang | 1 | -2/+2 | |
| gwyddion: 2.64 -> 2.65 | |||||
| 2024-01-19 | molden: disable parallel building | Phillip Seeber | 1 | -1/+1 | |
| 2024-01-10 | python311Packages.pyqt5-sip: rename from pyqt5_sip | Felix Buehler | 1 | -1/+1 | |
| 2024-01-09 | cp2k: 2023.2 -> 2024.1 | Phillip Seeber | 1 | -2/+3 | |
| cp2k: fix hdf5 includes | |||||
| 2024-01-09 | cp2k: fix CUDA support | Markus Kowalewski | 1 | -10/+17 | |
| Note, that it currently does not build with cufft support. Any attempt to build it cufft suport results in missing symbols from CP2K itself. | |||||
| 2024-01-05 | gwyddion: 2.64 -> 2.65 | R. Ryantm | 1 | -2/+2 | |
| 2024-01-04 | wxmacmolplt: 7.7.2 -> 7.7.3 | R. Ryantm | 1 | -2/+2 | |
| 2023-12-25 | Revert "gwyddion: mark as broken" | Doron Behar | 1 | -1/+2 | |
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