Follow Python standard packaging guidelines#292
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📝 WalkthroughWalkthroughThis pull request migrates the project package structure from a top-level layout to a src-layout. Path references across CI workflows and the build configuration are updated to reflect the new location of the package under a Changes
Estimated code review effort🎯 2 (Simple) | ⏱️ ~8 minutes Possibly related PRs
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Codecov Report✅ All modified and coverable lines are covered by tests. Additional details and impacted files@@ Coverage Diff @@
## main #292 +/- ##
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- Coverage 92.75% 81.95% -10.80%
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Files 8 10 +2
Lines 980 1125 +145
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+ Hits 909 922 +13
- Misses 71 203 +132 ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
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Actionable comments posted: 0
🧹 Nitpick comments (1)
pyproject.toml (1)
74-76: Review the coverage configuration change.The coverage configuration has changed from using
omitto usingsource. Based on the AI summary, the previous configuration excludedpyiron_lammps/_version.pyandtests/*from coverage reports. The new configuration only specifies the source but doesn't exclude these files.Consider whether you want to preserve the exclusions for auto-generated files:
[tool.coverage.run] source = ["pyiron_lammps"] command_line = "-m unittest discover tests" omit = ["src/pyiron_lammps/_version.py"]Including auto-generated version files in coverage reports is typically not desired as they artificially lower coverage metrics.
📜 Review details
Configuration used: defaults
Review profile: CHILL
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📒 Files selected for processing (14)
.github/workflows/deploy.yml.github/workflows/pipeline.ymlpyproject.tomlsrc/pyiron_lammps/__init__.pysrc/pyiron_lammps/_version.pysrc/pyiron_lammps/compatibility/__init__.pysrc/pyiron_lammps/compatibility/calculate.pysrc/pyiron_lammps/compatibility/constraints.pysrc/pyiron_lammps/compatibility/file.pysrc/pyiron_lammps/compatibility/structure.pysrc/pyiron_lammps/output.pysrc/pyiron_lammps/potential.pysrc/pyiron_lammps/structure.pysrc/pyiron_lammps/units.py
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- GitHub Check: unittest_matrix (windows-latest, 3.14)
🔇 Additional comments (8)
.github/workflows/pipeline.yml (2)
16-16: LGTM! Black path updated correctly for src-layout.The Black source path has been correctly updated to reflect the new src-layout structure.
32-32: LGTM! Consistent path update.The Black source path in the auto-fix job is correctly updated to match the new src-layout structure.
.github/workflows/deploy.yml (1)
35-35: LGTM! Version file path updated correctly.The git ignore path correctly reflects the new location of the version file under the src-layout structure.
pyproject.toml (5)
52-55: LGTM! Build include path updated correctly.The include path correctly specifies the package location under the src-layout structure.
57-58: LGTM! Version file path updated correctly.The version file path correctly reflects its new location in the src-layout structure.
60-63: LGTM! Source distribution include path updated correctly.The sdist target correctly includes the package from its new src-layout location.
70-72: LGTM! Version path updated correctly.The version path correctly reflects the new src-layout structure, consistent with the VCS hook configuration.
65-68: The current configuration is correct. For Hatch projects using src-layout, thepackagesdirective in[tool.hatch.build.targets.wheel]should include thesrc/prefix. This is the documented and correct approach:packages = ["src/pyiron_lammps"]properly configures Hatch to package files fromsrc/pyiron_lammpsas thepyiron_lammpspackage in the wheel.Likely an incorrect or invalid review comment.
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