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PSA: Pydantic v1/v2 and the QCArchive + Psi4 stack #323

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loriab opened this issue Aug 30, 2023 · 0 comments
Open

PSA: Pydantic v1/v2 and the QCArchive + Psi4 stack #323

loriab opened this issue Aug 30, 2023 · 0 comments

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@loriab
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loriab commented Aug 30, 2023 •
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software pydantic v1 only (API v1) 1 pydantic v1/v2 tolerant (API v1) pydantic v2 only (API v2)
QCElemental thru 0.25.1 0.26.0 thru 0.27.1 WIP #321
QCEngine thru 0.26.0 0.27.0 thru 0.29.0 WIP MolSSI/QCEngine#425
QCFractal next 0.5 beta13 thru 0.51 WIP MolSSI/QCFractal#787 (upcoming v0.52)
Psi4 2 v1.6 thru v1.8.0 v1.8.1 _2, v1.8.2 psi4/psi4#3034

EDIT 19 Jun 2024: The plan is to update schema v2 and pydantic v2 at the same time at 0.70

Footnotes

  1. "v1 only" describes the state of the code. conda packages may not be constrained to only solve with pydantic v1. ↩

  2. psi4 before v1.6 didn't use pydantic directly ↩
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