Align and Widen Dependency Version Constraints - #429
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harryswift01 merged 1 commit intoSep 30, 2026
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looks great, hopefully renovate will now start to behave how we like it to. Happy to merge.
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September 30, 2026 08:11
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Summary
This PR widens and corrects the dependency version constraints in
pyproject.tomlandconda-recipe/meta.yaml, replacing several overly narrow single-patch/single-month pins with properly verified ranges.Changes
Widened ranges:
pandas,rich,networkx,dask,distributed,dask-jobqueuefrom single-patch/single-month pins to full-range ceilingspandas,psutil,rich,art,networkx,rdkit,numba,dask,distributedto the actual minimum version required, verified by installing each exact version and running the full test suiteWheel-availability and security fixes:
numpy,mdanalysis,pandas,psutil,rdkit,numba,PyYAMLfloors where the previous floor lacked a prebuilt wheel for Python 3.12, 3.13, or 3.14 (would otherwise fall back to a fragile source build, or fail to install at all)requestsfloor to2.32.2:2.32.0and2.32.1are both yanked from PyPInumpyat<2.5.0:waterEntropy's vibrational entropy calculation usesnp.linalg.eig()on a symmetric covariance matrix, and every2.5.xrelease returns eigenvalues in a different (non-deterministic) order than2.3.x/2.4.xConsistency and cleanup:
numpy,psutil,dask,distributedranges to match the now-loosened constraints inwaterEntropy, previously exact-pinnedmatplotlib,python-json-logger,sphinx_rtd_theme,sphinxcontrib-contentui,sphinxcontrib-details-directiveconda-recipe/meta.yamlin sync withpyproject.tomlthroughoutImpact