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Minors #164

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merged 8 commits into from Nov 5, 2022
Merged

Minors #164

merged 8 commits into from Nov 5, 2022

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jannisborn
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@jannisborn jannisborn commented Nov 4, 2022

  • move moler out from vcs requirements (closes Install MoLeR from PyPI  #160)
  • fix problem with pydantic upper bound (closes Remove pydantic upper bound #133). I opened an issue with pydantic here and our current fix is more a hotfix.
  • fixed a problem introduced in the GeoDiff PR that introduced nglviewer as dependency. When installing jupyter now, nglviewer raises an issue. I looked into that, it can be fixed by upper-bounding ipywidgets which is now done in nobteooks/requirements.txt
  • bump TdC to the freshly released 0.3.8 to avoid the bug in the MoleculeOne retro wrapper

@cla-bot cla-bot bot added the cla-signed CLA has been signed label Nov 4, 2022
@jannisborn
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Pinning pytdc for now, new issue coming up when bumping to 0.3.8

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Upper-bounding diffusers for the moment. 0.7.0 was released yesterday but even the builds on their main branch are failing so let's wait for their stable release.

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@jannisborn jannisborn merged commit 04b639b into GT4SD:main Nov 5, 2022
@jannisborn jannisborn deleted the dev branch November 5, 2022 09:03
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Install MoLeR from PyPI Remove pydantic upper bound
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