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path: root/gnu/packages/chemistry.scm
AgeCommit message (Expand)Author
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
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
2019-02-08gnu: avogadro: Don't use unstable tarball....Tobias Geerinckx-Rice
2019-01-15gnu: Separate Python core packages from the rest....Ricardo Wurmus
2018-12-17gnu: avogadro: Don't hardcode python version....Efraim Flashner
2018-08-25gnu: Add avogadro....Kei Kebreau
2018-07-22gnu: chemistry.scm: Add missing import....Marius Bakke
2018-07-21gnu: openbabel: Fix crash when opening NWChem output files....Kei Kebreau
2018-07-17gnu: Add openbabel....Kei Kebreau
2018-07-13gnu: Add inchi....Kei Kebreau
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