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Initial draft of updated CI. #67

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merged 14 commits into from
Jan 8, 2024
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lothian
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@lothian lothian commented Dec 27, 2023

Description

Updating GHA CI scripts to use latest Psi4 and codecov.

Todos

Notable points that this PR has either accomplished or will accomplish.

  • Update CI.yaml
  • Update psi.yaml
  • Remove torch pin
  • Make sure all tests execute

Questions

  • The problem with pytorch appears to go away with python-3.11. Should we simply require 3.11 from this point forward? I'm in favor, but open to hearing concerns.

Status

  • Ready to go

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codecov bot commented Dec 27, 2023

Codecov Report

Merging #67 (a37ce5d) into main (9a68616) will not change coverage.
The diff coverage is n/a.

Additional details and impacted files

@lothian lothian requested a review from bgpeyton December 27, 2023 04:09
@lothian lothian requested review from zw0930 and JoseMadriaga January 1, 2024 18:22
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just a few questions, thanks for fixing this!

@lothian lothian merged commit f1cddd8 into CrawfordGroup:main Jan 8, 2024
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@lothian lothian deleted the ci_update branch January 8, 2024 20:06
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2 participants