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MolSSI / QCFractal

A distributed compute and database platform for quantum chemistry.
https://molssi.github.io/QCFractal/
BSD 3-Clause "New" or "Revised" License
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FractalClient incompatible with pydantic 2 #735

Closed IgnacioJPickering closed 11 months ago

IgnacioJPickering commented 1 year ago

Describe the bug FractalClient can't be imported from qcportal with pydantic v2

To Reproduce from qcportal import FractalClient in an environment with pydantic v2

Expected behavior FractalClient should work, or pydantic version should be pinned to 1.10

Additional context currently installing qcportal from conda-force will install the latest version of pydantic, since it is not pinned, but qcportal seems to be incompatible with pydantic 2.0

bennybp commented 11 months ago

v0.15 of qcportal should be pinned to pydantic 1 (at least the conda packages are).

We are working on making v0.50 working with pydantic, although it's a big undertaking, requiring migrating qcelemental as well. See #736