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2026-06-25gnu: Remove mmtf-cpp.Andreas Enge1-27/+0
2026-06-25gnu: python-pymol: Modernize inputs.Andreas Enge1-2/+1
2026-06-25gnu: avogadro2: Update to 1.102.1.Laura Kirsch1-26/+31
2026-06-25gnu: avogadrolibs: Update to 1.201.1 and switch to Qt6.Laura Kirsch1-58/+79
2026-06-25gnu: rdkit: Update dependency on catch.Cayetano Santos1-2/+3
2026-06-21gnu: catch2-3: Rename to catch2-3.5.Andreas Enge1-1/+1
2026-06-21gnu: catch2: Rename to catch2-2.Andreas Enge1-1/+1
2026-06-14gnu: ringdecomposerlib: Bump python-cython.Nicolas Graves1-1/+10
2026-05-29gnu: Remove pending references to deprecated (gnu packages flex).Anderson Torres1-1/+1
2026-05-24guix: build-system: Set pypi-uri in pyproject, drop python module.Nicolas Graves1-1/+0
2026-04-20gnu: gromacs: Rewrite input.Andreas Enge1-1/+1
2026-03-20gnu: Reference the inherited inputs values.Ludovic Courtès1-1/+1
2026-03-20gnu: Reference the inherited ‘arguments’ value.Ludovic Courtès1-1/+1
2026-03-05gnu: Pin old pybind11 version.Gabriel Wicki1-1/+1
2026-02-15gnu: ringdecomposerlib: Fix build on python-3.12.Nicolas Graves1-1/+6
2026-02-07build-system/pyproject: Remove uneeded use of pyproject-guile-json.Nicolas Graves1-6/+3
2026-01-29gnu: avogadro2: Add Wayland.Danny Milosavljevic1-2/+4
2026-01-25gnu: ringdecomposerlib: Switch to pyproject.Nicolas Graves1-47/+46
2026-01-25gnu: rdkit: Switch to pyproject.Nicolas Graves1-62/+61
2026-01-25gnu: gemmi: Switch to pyproject.Nicolas Graves1-44/+45
2026-01-25gnu: python-pymol: Use python-numpy@1.Sharlatan Hellseher1-1/+1
2026-01-25gnu: rdkit: Use python-numpy@1.Sharlatan Hellseher1-1/+1
2025-10-21gnu: gromacs: Update to 2025.3.David Elsing1-29/+54
2025-09-27gnu: python-geometric: Fix build.Hugo Buddelmeijer1-2/+12
2025-09-25gnu: ringdecomposerlib: Fix tests.Sharlatan Hellseher1-1/+1
2025-09-25gnu: python-pymol: Update to 3.1.0.Nicolas Graves1-46/+53
2025-08-04gnu: Remove #:test-target argument.Greg Hogan1-1/+0
2025-07-31gnu: yaehmop: Fix build with GCC 14.David Elsing1-0/+2
2025-07-31gnu: freesasa: Fix build with newer gemmi.David Elsing1-0/+6
2025-07-31gnu: gemmi: Update to 0.7.3.David Elsing1-10/+14
2025-07-31gnu: openbabel: Fix build and switch to git source.David Elsing1-23/+36
2025-07-13gnu: qcint: Fix build.Zheng Junjie1-6/+6
2025-07-13gnu: python-pyscf: Make tune works.Zheng Junjie1-3/+10
2025-07-08gnu: packages/chemistry: Sort use-module alphabetically.Sharlatan Hellseher1-7/+7
2025-07-08gnu: Add python-pyscf-properties.David Elsing1-0/+29
2025-07-08gnu: Add python-pyscf-dispersion.David Elsing1-0/+52
2025-07-08gnu: Add python-geometric.David Elsing1-0/+30
2025-07-08gnu: Add python-pyscf.David Elsing1-1/+76
2025-07-08gnu: Add qcint.David Elsing1-0/+46
2025-07-08gnu: Add libcint.David Elsing1-0/+58
2025-07-08gnu: Add xcfun.David Elsing1-0/+77
2025-07-08gnu: packages/chemistry: Add EOF disclaimer.Sharlatan Hellseher1-0/+8
2025-06-02gnu: avogadro2: Update to 1.100.0.Jakob Kirsch1-7/+37
2025-06-02gnu: avogadrolibs: Update to 1.100.0.Jakob Kirsch1-13/+56
2025-06-02gnu: spglib: Update to 2.5.0.Jakob Kirsch1-18/+33
2025-05-06gnu: texlive-libkpathsea: Tweak "texmf.cnf" variables.Nicolas Goaziou1-0/+1
2025-05-06gnu: Rename `texlive-updmap.cfg' into `texlive-local-tree'.Nicolas Goaziou1-1/+1
2025-04-08gnu: rdkit: Update to 2024.09.6.David Elsing1-4/+12
2025-04-08gnu: inchi: Update to 1.07.3.David Elsing1-63/+59
2025-04-07gnu: Add pubchem-align3d.David Elsing1-0/+46
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