BoothGroup / Vayesta

A Python package for wave function-based quantum embedding
Apache License 2.0
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Fix SCMF/python 3.11 support #99

Closed cjcscott closed 1 year ago

cjcscott commented 1 year ago

This implements the changes suggested in #91 to avoid test failures when running python 3.11, while also reactivating the pDMET test and updating it so it passes (in my running). This doesn't update any configuration options etc as I think we can do that all in one place- which is #97 or a follow-up to it.

This is entirely self-contained and shouldn't affect any outstanding PRs.