Bump release v3 #347
Bump release v3 #347
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Actionable comments posted: 0
🧹 Outside diff range and nitpick comments (3)
CONTRIBUTING.md (1)
38-38: LGTM! Consider adding a brief explanation of the installation flags.The updated installation command follows modern Python packaging practices. Consider adding a brief explanation of the
-eflag and the optional dependencies[dev,docs]to help new contributors understand the command.-pip install -e ".[dev,docs]" +pip install -e ".[dev,docs]" # Install in editable mode (-e) with development and documentation dependenciesREADME.md (1)
80-80: Document the purpose and contents of utils.py.While the new module has been added to the list, consider expanding its description to highlight key utility functions and their purposes.
- - **utils.py** A collection of utility functions used throughout the codebase. + - **utils.py** A collection of utility functions used throughout the codebase, including: + - Helper functions for data manipulation + - Common mathematical operations + - Shared constants and configurationsdocs/conf.py (1)
Mock modules list needs updating to align with current dependencies
The mock modules list in
docs/conf.pyrequires several adjustments based on the current project dependencies:
Remove obsolete entries:
mp_apiandmp_api.clientare not project dependenciesemmetis not a project dependencypyspglibappears redundant asspglibis used- Multiple
pymatgensubmodules can be consolidatedRetain essential mocks:
aseand its submodules (matches dependency)numpy(matches dependency)pandas(matches dependency)pymatgen(matches dependency >=2024.2.20)spglib(matches dependency)🔗 Analysis chain
Line range hint
365-397: Consider reviewing mock modules list for v3.0With this major version update, it would be prudent to review the
MOCK_MODULESlist to ensure it accurately reflects the current project dependencies. Consider:
- Verifying if all listed modules are still required
- Adding any new dependencies that need mocking
- Removing any obsolete dependencies
Let's check the current dependencies against the mock list:
🏁 Scripts executed
The following scripts were executed for the analysis:
Script:
#!/bin/bash # Description: Compare project dependencies with mock modules # Extract mock modules echo "Extracting mock modules..." mock_modules=$(rg "MOCK_MODULES\s*=" docs/conf.py -A 30 | rg '".*"' -o | tr -d '"' | sort) # Check dependencies in pyproject.toml and setup.py echo "Checking project dependencies..." for f in pyproject.toml setup.py; do if [ -f "$f" ]; then echo "Dependencies in $f:" rg "^\s*(requires|install_requires|dependencies)\s*=" "$f" -A 10 fi doneLength of output: 1789
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📒 Files selected for processing (6)
.github/workflows/check-live-links.yml(1 hunks)CONTRIBUTING.md(1 hunks)README.md(4 hunks)docs/conf.py(1 hunks)pyproject.toml(1 hunks)setup.py(1 hunks)
✅ Files skipped from review due to trivial changes (2)
- .github/workflows/check-live-links.yml
- setup.py
🔇 Additional comments (4)
pyproject.toml (1)
8-8: Verify documentation for version 3.0 release.
The major version bump from 2.8 to 3.0 suggests significant changes. Please ensure that:
- The changelog is updated to document breaking changes
- Release notes are prepared
- Migration guide is available for users upgrading from v2.8
README.md (2)
36-36: LGTM! Documentation links updated correctly.
The links have been appropriately updated to point to the readthedocs documentation instead of GitHub repository, improving accessibility and maintainability.
Also applies to: 44-44
94-97: LGTM! Clear installation instructions for optional dependencies.
The installation instructions for optional dependencies are clear and align with the project's packaging structure.
docs/conf.py (1)
74-76: Version bump appears consistent with PR objectives
The version update from 2.8 to 3.0 aligns with the PR's stated purpose. However, as this represents a major version increment, we should verify the presence of breaking changes to justify this bump.
Let's verify version consistency across the project:
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## master #347 +/- ##
=======================================
Coverage 77.56% 77.56%
=======================================
Files 31 31
Lines 2599 2599
=======================================
Hits 2016 2016
Misses 583 583 ☔ View full report in Codecov by Sentry. |
Bump version number
Description
This PR bumps the version number to v3
Type of change
How Has This Been Tested?
N/A
Test Configuration:
Reviewers
N/A
Checklist
Summary by CodeRabbit
Release Notes
New Features
utils.pycontaining utility functions.Documentation Updates
CONTRIBUTING.mdfile with clearer installation instructions and pre-commit hook usage.README.mdto direct users to the documentation site for examples and tutorials.Version Updates