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QG-phy
commented
Nov 21, 2025
QG-phy
commented
- Migrate from Poetry to UV package management with find-links for torch-scatter
- Add install.sh helper script for CPU/GPU variant selection
- Set up Jupyter Book documentation structure
- Create GitHub Actions workflows for testing and docs deployment
- Update repository URLs to deepmodeling/dftio
- Add pytest integration marker to skip CI-incompatible tests
- Migrate from Poetry to UV package management with find-links for torch-scatter - Add install.sh helper script for CPU/GPU variant selection - Set up Jupyter Book documentation structure - Create GitHub Actions workflows for testing and docs deployment - Update repository URLs to deepmodeling/dftio - Add pytest integration marker to skip CI-incompatible tests
The test was failing in CI because os.walk() returns files in different orders on different filesystems (macOS vs Linux). Both STRUCT.fdf and RUN_band.fdf contain ChemicalSpeciesLabel, so the test now accepts either file as a valid result.
- Remove matrix testing for multiple Python versions - Use Python 3.10 as the standard test environment - Fix test_find_content to handle file ordering differences across filesystems - Update README badge to reflect single Python version testing Multi-version compatibility testing will be handled as a separate systematic task.
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