projects/guix·log python-team · refs

Log of gnu/packages/chemistry.scm

CommitSubjectAuthorTime (UTC)
9ea62ee2gnu: Remove mmtf-cpp.Andreas Enge2026-06-25 21:10
daf59d3dgnu: python-pymol: Modernize inputs.Andreas Enge2026-06-25 21:07
3ce85a30gnu: avogadro2: Update to 1.102.1.Laura Kirsch2026-06-25 21:07
98450365gnu: avogadrolibs: Update to 1.201.1 and switch to Qt6.Laura Kirsch2026-06-25 21:06
173230fcgnu: rdkit: Update dependency on catch.Cayetano Santos2026-06-25 18:50
88f81d6egnu: catch2-3: Rename to catch2-3.5.Andreas Enge2026-06-21 16:18
ef878e0egnu: catch2: Rename to catch2-2.Andreas Enge2026-06-21 16:18
e6a5ca4egnu: ringdecomposerlib: Bump python-cython.Nicolas Graves2026-06-14 08:42
cf21d514gnu: Remove pending references to deprecated (gnu packages flex).Anderson Torres2026-05-29 07:41
803e96bfguix: build-system: Set pypi-uri in pyproject, drop python module.Nicolas Graves2026-05-24 09:14
d68e92fcgnu: gromacs: Rewrite input.Andreas Enge2026-04-20 11:27
1ae20f03gnu: Reference the inherited inputs values.Ludovic Courtès2026-03-20 12:27
2a50c959gnu: Reference the inherited ‘arguments’ value.Ludovic Courtès2026-03-20 12:27
f86ff1dbgnu: Pin old pybind11 version.Gabriel Wicki2026-03-05 14:53
7c9b7b36gnu: ringdecomposerlib: Fix build on python-3.12.Nicolas Graves2026-02-15 21:50
93b40d33build-system/pyproject: Remove uneeded use of pyproject-guile-json.Nicolas Graves2026-02-07 11:28
904019a8gnu: avogadro2: Add Wayland.Danny Milosavljevic2026-01-29 19:42
ef18864egnu: ringdecomposerlib: Switch to pyproject.Nicolas Graves2026-01-25 20:23
733ec52bgnu: rdkit: Switch to pyproject.Nicolas Graves2026-01-25 20:23
04365b11gnu: gemmi: Switch to pyproject.Nicolas Graves2026-01-25 20:23
9b3596adgnu: python-pymol: Use python-numpy@1.Sharlatan Hellseher2026-01-25 20:22
b54008bbgnu: rdkit: Use python-numpy@1.Sharlatan Hellseher2026-01-25 20:21
ad9d43bagnu: gromacs: Update to 2025.3.David Elsing2025-10-21 20:18
0c3cac7egnu: python-geometric: Fix build.Hugo Buddelmeijer2025-09-27 22:45
08e6a0fagnu: ringdecomposerlib: Fix tests.Sharlatan Hellseher2025-09-25 08:37
ea4e755fgnu: python-pymol: Update to 3.1.0.Nicolas Graves2025-09-25 08:37
364e8832gnu: Remove #:test-target argument.Greg Hogan2025-08-04 04:10
5aebea01gnu: yaehmop: Fix build with GCC 14.David Elsing2025-07-31 22:19
d8d9e51agnu: freesasa: Fix build with newer gemmi.David Elsing2025-07-31 22:19
c3e59b2fgnu: gemmi: Update to 0.7.3.David Elsing2025-07-31 22:19