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Csse pyd2 510 #347

Merged
merged 4 commits into from
Sep 10, 2024
Merged

Csse pyd2 510 #347

merged 4 commits into from
Sep 10, 2024

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loriab
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@loriab loriab commented Sep 9, 2024

Description

  • Provide a version of QCSchema expressed in Pydantic v2 API lodged in qcelemental.models.v2. It is not accessed by default.
  • First three commits are copying in a set of models.v1 into models, applying the models portion of @Lnaden 's Pydantic v2 Overhaul [DNM yet] #321, and copying the result down to models.v2. Only the 4th commit d515a5f is changes to make it all work.
  • The outlandish pyproject.toml changes are because to build docs for pyd v2 models one needs a recent sphinx, autodoc-pydantic, numpydoc, etc., but poetry insists it be solvable for py37.
  • Ended up pulling in need graphviz #342 to fix and/or see the true errors in docs build.
  • It's awkward to deprecate in code, so this is official notice that homegrown AutoDoc will not be in qcdk v2 and could be removed from v1. All of QCArchive uses autodoc-pydantic instead, so this is notice to any downstream models. The autodoc changes from Pydantic v2 Overhaul [DNM yet] #321 will be discarded (sorry, Levi, that was a lot of work iirc.

Changelog description

Status

  • Code base linted
  • Ready to go
  • REMINDER, DON'T SQUASH MERGE THIS ONE

@loriab loriab force-pushed the csse_pyd2_510 branch 2 times, most recently from 59e7884 to 8f2d8b5 Compare September 9, 2024 15:49
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codecov bot commented Sep 9, 2024

Codecov Report

Attention: Patch coverage is 81.52327% with 262 lines in your changes missing coverage. Please review.

Please upload report for BASE (next2024@3e53fa1). Learn more about missing BASE report.

Additional details and impacted files

@loriab loriab force-pushed the csse_pyd2_510 branch 24 times, most recently from e28d0ca to cf87140 Compare September 9, 2024 20:40
@loriab loriab force-pushed the csse_pyd2_510 branch 6 times, most recently from aa014ef to 5ceedc3 Compare September 9, 2024 21:23
@loriab
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loriab commented Sep 10, 2024

Requesting review @davidbrownell, @krachwal, @rfievet, @ketanbj, @varun646, @jyoung3131

@loriab loriab mentioned this pull request Sep 10, 2024
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@loriab loriab merged commit c219aa2 into MolSSI:next2024 Sep 10, 2024
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@loriab loriab deleted the csse_pyd2_510 branch September 10, 2024 19:37
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3 participants