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chemistry.scm
Age
Commit message (
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Author
2021-09-20
gnu: Add python-pymol.
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Ricardo Wurmus
2021-06-14
gnu: Rename qtbase to qtbase-5.
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Maxim Cournoyer
2021-02-01
gnu: openbabel: Update to 3.1.1.
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Kei Kebreau
2021-02-01
gnu: inchi: Update to 1.06.
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Kei Kebreau
2021-01-29
gnu: Remove avogadro.
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Leo Famulari
2021-01-25
gnu: Add avogadro2.
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Kei Kebreau
2021-01-25
gnu: Add avogadrolibs.
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Kei Kebreau
2021-01-25
gnu: Add libmsym.
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Kei Kebreau
2021-01-25
gnu: Add molequeue.
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Kei Kebreau
2021-01-25
gnu: Add mmtf-cpp.
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Kei Kebreau
2021-01-25
gnu: Add spglib.
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Kei Kebreau
2020-07-12
gnu: Remove ".git" from "https://github/…/….git".
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Ludovic Courtès
2020-05-04
gnu: Add gromacs.
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Vincent Legoll
2020-05-04
gnu: Add tng.
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Vincent Legoll
2020-04-26
gnu: nmoldyn: Adjust for Guile 3.0.
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Marius Bakke
2020-03-05
gnu: domainfinder: Update home page URI.
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Björn Höfling
2020-03-05
gnu: nmoldyn: Upate home page URI.
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Björn Höfling
2019-11-21
gnu: nmoldyn: New source code location.
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Konrad Hinsen
2019-02-08
gnu: avogadro: Don't use unstable tarball.
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Tobias Geerinckx-Rice
2019-01-15
gnu: Separate Python core packages from the rest.
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Ricardo Wurmus
2018-12-17
gnu: avogadro: Don't hardcode python version.
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Efraim Flashner
2018-08-25
gnu: Add avogadro.
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Kei Kebreau
2018-07-22
gnu: chemistry.scm: Add missing import.
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Marius Bakke
2018-07-21
gnu: openbabel: Fix crash when opening NWChem output files.
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Kei Kebreau
2018-07-17
gnu: Add openbabel.
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Kei Kebreau
2018-07-13
gnu: Add inchi.
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Kei Kebreau
2018-03-17
gnu: Fix common unquote typos.
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Tobias Geerinckx-Rice
2018-01-05
gnu: Add nmoldyn.
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Konrad Hinsen
2018-01-05
gnu: Add domainfinder.
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Konrad Hinsen
