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AgeCommit message (Expand)Author
2024-02-13gnu: rdkit: Update to 2023.09.4....David Elsing
2024-02-13gnu: freesasa: Fix memerr tests....David Elsing
2024-02-13gnu: avalon-toolkit: Update to 2.0.5a....David Elsing
2024-02-13gnu: yaehmop: Update to 2023.03.1....David Elsing
2024-02-13gnu: coordgenlibs: Update to 3.0.2....David Elsing
2024-02-13gnu: maeparser: Update to 1.3.1....David Elsing
2024-02-13gnu: gemmi: Update to 0.6.4....David Elsing
2024-01-09gnu: msgpack: Deprecate with msgpack-c....Maxim Cournoyer
2023-08-21gnu: python-pymol: Remove msgpack from native-inputs....Maxim Cournoyer
2023-08-21gnu: avogadrolibs: Remove msgpack from native-inputs....Maxim Cournoyer
2023-08-21gnu: mmtf-cpp: Update to 1.1.0....Maxim Cournoyer
2023-07-26gnu: python-pymol: Fix launch script....David Elsing
2023-07-18gnu: Rationalize texlive-updmap.cfg and texlive-tiny inputs....Nicolas Goaziou
2023-07-18gnu: yaehmop: Fix build due to missing TeX Live scripts....Nicolas Goaziou
2023-07-18gnu: texlive-fonts-ec -> texlive-ec....Nicolas Goaziou
2023-07-18gnu: texlive-latex-geometry -> texlive-geometry....Nicolas Goaziou
2023-03-02Merge remote-tracking branch 'savannah/master' into core-updates...Christopher Baines
2023-02-19gnu: Use HTTPS package home pages wherever possible....Tobias Geerinckx-Rice
2023-02-16gnu: Remove unneeded module imports....Efraim Flashner
2023-01-30gnu: texlive-graphics: Use over deprecated texlive-latex-graphics....Efraim Flashner
2023-01-12gnu: gromacs: Mark as tunable....Ludovic Courtès
2023-01-10gnu: gromacs: Remove input labels and use gexps....Ludovic Courtès
2023-01-10gnu: gromacs: Update to 2022.4....Ludovic Courtès
2022-10-27gnu: python-setuptools: Move to python-build....Lars-Dominik Braun
2022-10-15gnu: Add rdkit....David Elsing
2022-10-15gnu: Add ringdecomposerlib....David Elsing
2022-10-15gnu: Add avalon-toolkit....David Elsing
2022-10-15gnu: Add yaehmop....David Elsing
2022-10-15gnu: Add coordgenlibs....David Elsing
2022-10-15gnu: Add maeparser....David Elsing
2022-10-15gnu: Add freesasa....David Elsing
2022-10-15gnu: Add gemmi....David Elsing
2022-10-15gnu: Add sajson-for-gemmi....David Elsing
2022-09-15gnu: catch-framework2: Rename variable to catch2....Maxim Cournoyer
2022-05-31gnu: Remove python2-numpy....Maxim Cournoyer
2022-05-31gnu: Remove nmoldyn....Maxim Cournoyer
2022-05-31gnu: Remove domainfinder....Maxim Cournoyer
2021-12-13gnu: Simplify package inputs....Ludovic Courtès
2021-10-12Merge remote-tracking branch 'origin/master' into core-updates-frozen.Mathieu Othacehe
2021-09-20gnu: Add python-pymol....Ricardo Wurmus
2021-07-24gnu: Use 'search-input-file' when looking for executables....Ludovic Courtès
2021-06-14gnu: Rename qtbase to qtbase-5....Maxim Cournoyer
2021-02-01gnu: openbabel: Update to 3.1.1....Kei Kebreau
2021-02-01gnu: inchi: Update to 1.06....Kei Kebreau
2021-01-29gnu: Remove avogadro....Leo Famulari
2021-01-25gnu: Add avogadro2....Kei Kebreau
2021-01-25gnu: Add avogadrolibs....Kei Kebreau
2021-01-25gnu: Add libmsym....Kei Kebreau
2021-01-25gnu: Add molequeue....Kei Kebreau
2021-01-25gnu: Add mmtf-cpp....Kei Kebreau