ci: pin array-api-strict to <2.1.1

[njzjz]

See #4325.

Summary by CodeRabbit

• Chores
  • Updated dependency constraints for improved reliability.
  • Expanded testing commands to enhance the testing suite.
  • Improved setup process with additional installation commands for specific environments.

[coderabbitai]

📝 Walkthrough

Walkthrough

The pull request introduces modifications to the pyproject.toml file, focusing on dependency management and testing enhancements. The upper bound for the array-api-strict dependency has been tightened for Python 3.9 and above. Additionally, a new test command targeting LAMMPS-related tests has been added, and the setup process for Linux and macOS environments has been expanded with additional installation commands for dependencies like mpich and CUDA packages.

Changes

File	Change Summary
pyproject.toml	- Updated upper bound for array-api-strict to >=2,<2.1.1 for Python 3.9+. - Added test command pytest {project}/source/tests/tf/test_lammps.py. - Expanded before-all commands for Linux and macOS to include installation of mpich and CUDA-related packages.

Possibly related PRs

• [r2] docs: pin sphinx-argparse to < 0.5.0 (#3988) #4133: Changes in the pyproject.toml file regarding dependency version constraints are related to the main PR's modifications in the same file, indicating a focus on managing dependencies effectively.
• ci: pin ubuntu to 22.04 #4213: Although primarily focused on CI environment changes, this PR's adjustments to the setup process for dependencies may indirectly relate to the enhancements in the testing commands and environment setup in the main PR.

Suggested reviewers

• wanghan-iapcm

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[coderabbitai]

Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)

pyproject.toml (1)

88-89: LGTM! Consider documenting this constraint in CHANGELOG.md

The version pinning of array-api-strict to <2.1.1 is well-justified with the referenced issue. This is a good preventive measure to maintain compatibility.

Consider adding an entry to CHANGELOG.md to document this dependency constraint for future reference.

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Reviewing files that changed from the base of the PR and between 3236db5 and 5c504bd.

📒 Files selected for processing (1)

• pyproject.toml (1 hunks)

[codecov]

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 84.33%. Comparing base (3236db5) to head (5c504bd).
Report is 3 commits behind head on devel.

Additional details and impacted files

@@            Coverage Diff             @@
##            devel    #4326      +/-   ##
==========================================
- Coverage   84.42%   84.33%   -0.10%     
==========================================
  Files         570      570              
  Lines       53107    53107              
  Branches     3059     3059              
==========================================
- Hits        44836    44788      -48     
- Misses       7307     7354      +47     
- Partials      964      965       +1     

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