Add provenance cfg to output dir

[forsyth2]

Summary

Objectives:

• Add provenance cfg to output dir. This will mean the cfg used to run zppy will be immediately available to developers helping to debug users' output. Previously, developers had to ask users for a copy of their cfg.

Issue resolution:

• Closes [Feature]: Save .cfg in output as provenance of a run #711

Select one: This pull request is...

• a bug fix: increment the patch version
• a small improvement: increment the minor version
• a new feature: increment the minor version
• an incompatible (non-backwards compatible) API change: increment the major version

Small Change

• To merge, I will use "Squash and merge". That is, this change should be a single commit.
• Logic: I have visually inspected the entire pull request myself.
• Pre-commit checks: All the pre-commits checks have passed.

[forsyth2]

Tested with:

cd ~/ez/zppy
conda activate zppy_dev_20250407
pip install .
python tests/integration/utils.py 
zppy -c tests/integration/generated/test_min_case_nco_chrysalis.cfg
scancel -u ac.forsyth2 # cancelled, since we don't actually need the output; could have also turned on dry_run
cd /lcrc/group/e3sm/ac.forsyth2/zppy_min_case_nco_output/test-711-try2/v3.LR.historical_0051 # cd into output dir
cd post/scripts/
diff provenance.20250521_003137_133895.cfg ~/ez/zppy/tests/integration/generated/test_min_case_nco_chrysalis.cfg 
# No errors; the diffs match

[forsyth2]

@chengzhuzhang It looks there's an issue in the CI/CD workflow I need to check, but the functionality of this PR seems to work. It copies the provenance cfg to a timestamped file in the output directory, under post/scripts, e.g.: provenance.20250521_003137_133895.cfg. Let me know what you think.

[forsyth2]

Would you prefer it to be in the www rather than output? The latter already has all the sort of other provenance pieces -- e.g., .settings which specifies exactly how each parameter was set.

[forsyth2]

Testing GitHub actions with cherry-picked commit from #715.

[forsyth2]

(Rebased off main after merging #715, which removes the cherry-picked commit since it's now in main)

[chengzhuzhang]

Would you prefer it to be in the www rather than output? The latter already has all the sort of other provenance pieces -- e.g., .settings which specifies exactly how each parameter was set.

thanks for working on this @forsyth2. I would prefer to have it under www, or both. We can discuss at EZ meeting about this design.

[forsyth2]

Now:

cd ~/ez/zppy
conda activate zppy_dev_20250407
pip install .
python tests/integration/utils.py 
zppy -c tests/integration/generated/test_min_case_nco_chrysalis.cfg
scancel -u ac.forsyth2 # cancelled, since we don't actually need the output; could have also turned on dry_run
cd /lcrc/group/e3sm/ac.forsyth2/zppy_min_case_nco_output/test-711-2025028/v3.LR.historical_0051 # cd into output dir
cd post/scripts/
diff provenance.20250528_190216_675289.cfg ~/ez/zppy/tests/integration/generated/test_min_case_nco_chrysalis.cfg 
# No errors; the diffs match
cd /lcrc/group/e3sm/public_html/diagnostic_output/ac.forsyth2/zppy_min_case_nco_www/test-711-20250528 # cd into www dir
cd v3.LR.historical_0051/
diff provenance.20250528_190216_675289.cfg ~/ez/zppy/tests/integration/generated/test_min_case_nco_chrysalis.cfg

[forsyth2]

pytest tests/test_*.py passes; integration tests can be run on main as part of the weekly run.

[forsyth2]

@chengzhuzhang I decided to just add provenance to both output and www. It's not a big file, so why not? It could be useful in both places.

If you approve of the latest code, I'll merge. Thanks!

[chengzhuzhang]

The changes look good to me. Thanks for the PR.

[forsyth2]

Changes approved, merging