numpy 2.0.0 is not compatible - Githubissues

basf / MolPipeline

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numpy 2.0.0 is not compatible #26

Open c-w-feldmann opened 1 month ago

c-w-feldmann commented 1 month ago

Waiting for:

[ ] RDKit 2024.03.4 (pypi)
[ ] ChemProp (which is also waiting for RDKit)

TODOs:

[ ] update requirements
- [ ] rdkit >= 2024.03.4
- [ ] chemprop >= xxx
- [ ] find out if we need to specify numpy (maybe we can be backwards compatible)
[ ] adapt code

c-w-feldmann commented 1 month ago

numpy requires a higher version of pandas, for which we need a higher version of rdkit which is currently blocked by the pypi size limit. See here.