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Csse pyd2 modernize compute function #455

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merged 6 commits into from
Oct 28, 2024
Merged

Csse pyd2 modernize compute function #455

merged 6 commits into from
Oct 28, 2024

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loriab
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@loriab loriab commented Oct 3, 2024 •
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currently atop #454

Description

  • reworks the compute fns and user interface to handle multiple schema versions. this replaces some of checkver_and_convert's responsibilities
  • see also the changelog

Changelog description

Status

  • Code base linted
  • Ready to go

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codecov bot commented Oct 3, 2024 •
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Codecov Report

Attention: Patch coverage is 91.18457% with 32 lines in your changes missing coverage. Please review.

Project coverage is 81.58%. Comparing base (0642655) to head (1eebb5b).
Report is 5 commits behind head on next2024.

Additional details and impacted files

@loriab loriab force-pushed the csse_pyd2_506d branch 4 times, most recently from 05bac88 to 44ac0a6 Compare October 6, 2024 20:16
@loriab loriab mentioned this pull request Oct 6, 2024
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@loriab loriab marked this pull request as ready for review October 6, 2024 20:55
@loriab loriab changed the title Csse pyd2 506d Csse pyd2 modernize compute function Oct 6, 2024
@loriab loriab mentioned this pull request Oct 7, 2024
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loriab commented Oct 28, 2024

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

@loriab loriab merged commit ff59b7b into MolSSI:next2024 Oct 28, 2024
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@loriab loriab deleted the csse_pyd2_506d branch October 28, 2024 19:58
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@davidbrownell davidbrownell davidbrownell approved these changes

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@loriab @davidbrownell