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path: root/gnu/packages/chemistry.scm
AgeCommit message (Expand)Author
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-updatesChristopher 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
2021-01-25gnu: Add spglib.Kei Kebreau
2020-07-12gnu: Remove ".git" from "https://github/…/….git".Ludovic Courtès
2020-05-04gnu: Add gromacs.Vincent Legoll
2020-05-04gnu: Add tng.Vincent Legoll
2020-04-26gnu: nmoldyn: Adjust for Guile 3.0.Marius Bakke
2020-03-05gnu: domainfinder: Update home page URI.Björn Höfling
2020-03-05gnu: nmoldyn: Upate home page URI.Björn Höfling
2019-11-21gnu: nmoldyn: New source code location.Konrad Hinsen
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