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Fix compatibility issues, drop Python 3.9, and pull Git LFS fiels handling
- Removed Python 3.9 from CI due to compatibility issues - Fixed None values for element properties - Added Git LFS pull instructions to GitHub workflows
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.gitattributes

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*.h5 filter=lfs diff=lfs merge=lfs -text

.github/workflows/pytest.yaml

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# windows-latest is not supported because pyscf is not supported on windows
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# https://pyscf.org/user/install.html
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os: ["ubuntu-latest", "macos-latest"]
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py: ["3.9", "3.10", "3.11", "3.12"]
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py: ["3.10", "3.11", "3.12"]
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steps:
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- uses: "actions/checkout@v4"
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# Whether to download Git-LFS files
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with:
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lfs: true
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- name: Setup python for test ${{ matrix.py }}
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uses: actions/setup-python@v5
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with:
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python-version: ${{ matrix.py }}
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python-version: ${{ matrix.py }}
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- name: Install development version
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run: |
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pip install -v .
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pip install -e .
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- name: Install extra test dependencies
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run: |
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pip install --upgrade pip
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pip install .[test_extra]
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- name: Run pytest default tests
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uses: pavelzw/pytest-action@v2
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with:
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- name: Install Dev Dependencies
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run: |
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pip install .[dev]
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- name: Run pytest Dev Tests
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uses: pavelzw/pytest-action@v2
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with:
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click-to-expand: true
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report-title: 'Dev Test Report'
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pytest-args: '-m dev'
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atomdb/data/database_beta_1.3.0.h5

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atomdb/data/elements_data.h5

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version https://git-lfs.github.com/spec/v1
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oid sha256:af6bc5014271228a3f11c7b64e4dfc5b41a28193c77bd319d59ca8043f2aa4b9
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size 105117616

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