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OpenBioSim / sire

Sire Molecular Simulations Framework
https://sire.openbiosim.org
GNU General Public License v3.0
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[BUG] RDKit pin isn't strict enough #200

Closed lohedges closed 4 months ago

lohedges commented 4 months ago

In our conda recipe we have a runtime constraint that pins RDKit to the MANOR.MINOR release number that Sire was built against. This needs to be made more strict, i.e. MAJOR.MINOR.PATCH:

Current:

  run_constrained:
    - {{ pin_compatible('rdkit', max_pin='x.x') }}

Updated:

  run_constrained:
    - {{ pin_compatible('rdkit', max_pin='x.x.x') }}