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path: root/gnu/packages/chemistry.scm
AgeCommit message (Expand)Author
2026-03-05gnu: Pin old pybind11 version.Gabriel Wicki
2026-02-15gnu: ringdecomposerlib: Fix build on python-3.12.Nicolas Graves
2026-02-07build-system/pyproject: Remove uneeded use of pyproject-guile-json.Nicolas Graves
2026-01-29gnu: avogadro2: Add Wayland.Danny Milosavljevic
2026-01-25gnu: ringdecomposerlib: Switch to pyproject.Nicolas Graves
2026-01-25gnu: rdkit: Switch to pyproject.Nicolas Graves
2026-01-25gnu: gemmi: Switch to pyproject.Nicolas Graves
2026-01-25gnu: python-pymol: Use python-numpy@1.Sharlatan Hellseher
2026-01-25gnu: rdkit: Use python-numpy@1.Sharlatan Hellseher
2025-10-21gnu: gromacs: Update to 2025.3.David Elsing
2025-09-27gnu: python-geometric: Fix build.Hugo Buddelmeijer
2025-09-25gnu: ringdecomposerlib: Fix tests.Sharlatan Hellseher
2025-09-25gnu: python-pymol: Update to 3.1.0.Nicolas Graves
2025-08-04gnu: Remove #:test-target argument.Greg Hogan
2025-07-31gnu: yaehmop: Fix build with GCC 14.David Elsing
2025-07-31gnu: freesasa: Fix build with newer gemmi.David Elsing
2025-07-31gnu: gemmi: Update to 0.7.3.David Elsing
2025-07-31gnu: openbabel: Fix build and switch to git source.David Elsing
2025-07-13gnu: qcint: Fix build.Zheng Junjie
2025-07-13gnu: python-pyscf: Make tune works.Zheng Junjie
2025-07-08gnu: packages/chemistry: Sort use-module alphabetically.Sharlatan Hellseher
2025-07-08gnu: Add python-pyscf-properties.David Elsing
2025-07-08gnu: Add python-pyscf-dispersion.David Elsing
2025-07-08gnu: Add python-geometric.David Elsing
2025-07-08gnu: Add python-pyscf.David Elsing
2025-07-08gnu: Add qcint.David Elsing
2025-07-08gnu: Add libcint.David Elsing
2025-07-08gnu: Add xcfun.David Elsing
2025-07-08gnu: packages/chemistry: Add EOF disclaimer.Sharlatan Hellseher
2025-06-02gnu: avogadro2: Update to 1.100.0.Jakob Kirsch
2025-06-02gnu: avogadrolibs: Update to 1.100.0.Jakob Kirsch
2025-06-02gnu: spglib: Update to 2.5.0.Jakob Kirsch
2025-05-06gnu: texlive-libkpathsea: Tweak "texmf.cnf" variables.Nicolas Goaziou
2025-05-06gnu: Rename `texlive-updmap.cfg' into `texlive-local-tree'.Nicolas Goaziou
2025-04-08gnu: rdkit: Update to 2024.09.6.David Elsing
2025-04-08gnu: inchi: Update to 1.07.3.David Elsing
2025-04-07gnu: Add pubchem-align3d.David Elsing
2025-04-07gnu: yaehmop: Update to 2024.03.1.David Elsing
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
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