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numpy 2.0.0 is not compatible #26

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c-w-feldmann opened this issue Jun 17, 2024 · 2 comments · Fixed by #57
Closed
5 of 7 tasks

numpy 2.0.0 is not compatible #26

c-w-feldmann opened this issue Jun 17, 2024 · 2 comments · Fixed by #57
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status: completed Issue that was successfully solved type: maintenance Improvement of code or keeping the code up to date

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c-w-feldmann commented Jun 17, 2024 •
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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 c-w-feldmann added type: maintenance Improvement of code or keeping the code up to date status: doing Issue is currently addressed status: backlog Things we will work on, but not right now and removed status: doing Issue is currently addressed labels Jun 17, 2024
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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.

@c-w-feldmann c-w-feldmann linked a pull request Aug 6, 2024 that will close this issue
26 numpy 200 is not compatible #57
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@c-w-feldmann c-w-feldmann added status: doing Issue is currently addressed and removed status: backlog Things we will work on, but not right now labels Aug 6, 2024
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Code is now compatible with numpy 1 and 2

@c-w-feldmann c-w-feldmann self-assigned this Aug 6, 2024
@c-w-feldmann c-w-feldmann added status: completed Issue that was successfully solved and removed status: doing Issue is currently addressed labels Aug 9, 2024
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26 numpy 200 is not compatible basf/MolPipeline
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