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Fix unsatisfiable numba version constraint and align conda recipe metadata #325

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Merged
harryswift01 merged 3 commits into from
Apr 30, 2026
Merged

Fix unsatisfiable numba version constraint and align conda recipe metadata #325

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971f4f0
chore(dependencies): update numba dependency to use correct version i…
harryswift01 Apr 30, 2026
82a5b7c
docs(conda): update summary witin `conda-recipe/meta.yaml` to match d…
harryswift01 Apr 30, 2026
3b48df3
docs(conda): update about section within `conda-recipe/meta.yaml` to …
harryswift01 Apr 30, 2026
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12 changes: 9 additions & 3 deletions conda-recipe/meta.yaml
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Expand Up @@ -39,7 +39,7 @@ requirements:
- distributed >=2026.1.2,<2026.2.0
- dask-jobqueue >=0.9,<0.10
- pytest-xdist >=3.8, <3.9
- numba >=0.65.0, <0.7
- numba >=0.65.1, <0.70

test:
imports:
Expand All @@ -48,7 +48,13 @@ test:
- CodeEntropy --help

about:
home: https://ccpbiosim.github.io/CodeEntropy/
home: https://github.com/CCPBioSim/CodeEntropy
license: MIT
license_family: MIT
license_file: LICENSE
summary: "Entropy analysis tools for macromolecular systems and MD simulation"
license_url: https://github.com/CCPBioSim/CodeEntropy/blob/main/LICENSE
summary: Python package for calculating configurational entropy from molecular dynamics simulations using the multiscale cell correlation method.
description: "CodeEntropy is a Python package for computing the configurational entropy of macromolecular systems using forces sampled from molecular dynamics (MD) simulations. It implements the multiscale cell correlation method to provide accurate and efficient entropy estimates, supporting a wide range of applications in molecular simulation and statistical mechanics."
dev_url: https://github.com/CCPBioSim/CodeEntropy
doc_url: https://codeentropy.readthedocs.io/en/latest/
doc_source_url: https://github.com/CCPBioSim/CodeEntropy/blob/main/README.md
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