Csse pyd2 pull altered qcel and run pre-commit

[loriab]

Description

• set up pre-commit and run it on all files (some are excluded for stability)
• start using a particular qcel branch loriab/csse_pyd2_shimclasses to test against
• before merge, recheck this branch qcel target likely to be long-lived
• fix a nwchem version case where a change in safe_versions in qcel failed here (0.7.0+N/A)

Changelog description

Status

• Code base linted
• Ready to go

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 81.08%. Comparing base (0642655) to head (cb19baa).
Report is 2 commits behind head on next2024.

Additional details and impacted files

[loriab]

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

[davidbrownell]

Consider leveraging GitHub Secret Scanning unless this action is doing something above and beyond what is done with GitHub.

[loriab]

No, nothing special -- someone had added this to pre-commit for QCElemental, so I continued it here. These repositories aren't likely to collect secrets in any case. I've enabled the GH secret scanning at QCManyBody and will do so here and at QCEl if the other primary owner agrees.