ci: update docker build env

[atravitz]

LLM / AI generated code disclosure

LLMs or other AI-powered tools (beyond simple IDE use cases) were used in this contribution: no

addressing environment solving issues seen at: https://github.com/OpenFreeEnergy/openfe/actions/runs/28526960381/job/84565896358

Checklist

• All new code is appropriately documented (user-facing code must have complete docstrings).
• Added a news entry, or the changes are not user-facing.
• Ran pre-commit: you can run pre-commit locally or comment on this PR with pre-commit.ci autofix.
• Filled in the AI generated code disclosure.

Manual Tests: these are slow so don't need to be run every commit, only before merging and when relevant changes are made (generally at reviewer-discretion).

• GPU integration tests
• example notebook testing
• packaging tests: run this for any large feature PRs or PRs that add test data.

Developers certificate of origin

• I certify that this contribution is covered by the MIT License here and the Developer Certificate of Origin at https://developercertificate.org/.

[atravitz]

testing at: https://github.com/OpenFreeEnergy/openfe/actions/runs/28538389682

[codecov]

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 90.58%. Comparing base (97bef39) to head (8c7df91).

Additional details and impacted files

@@            Coverage Diff             @@
##             main    #2061      +/-   ##
==========================================
- Coverage   95.01%   90.58%   -4.43%     
==========================================
  Files         212      212              
  Lines       20572    20572              
==========================================
- Hits        19546    18635     -911     
- Misses       1026     1937     +911     

Flag	Coverage Δ
fast-tests	90.58% <ø> (?)
slow-tests	?

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[github-actions]

No API break detected ✅

View workflow run

Griffe output

$ griffe check "openfe" -s src --no-inspection --no-color --verbose -a origin/main

$ griffe check "openfecli" -s src --no-inspection --no-color --verbose -a origin/main