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Further update to CI.yaml file to cross reference compatability of CodeEntropy with MDAnalysis
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.github/workflows/CI.yaml

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@@ -67,4 +67,35 @@ jobs:
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- name: Run pre-commit
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run: |
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pre-commit install
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pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
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pre-commit run --all-files || ( git status --short ; git diff ; exit 1 )
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mdanalysis_compatibility:
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runs-on: ubuntu-latest
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timeout-minutes: 15
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strategy:
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matrix:
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python-version: ["3.11", "3.12", "3.13"]
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mdanalysis-version: ["2.7.0", "2.8.0", "2.9.0", "latest"]
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name: MDAnalysis v${{ matrix.mdanalysis-version }} / Python ${{ matrix.python-version }}
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steps:
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- name: Checkout repo
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uses: actions/checkout@v4
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- name: Set up Python ${{ matrix.python-version }}
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uses: actions/setup-python@v5
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with:
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python-version: ${{ matrix.python-version }}
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- name: Install dependencies with MDAnalysis ${{ matrix.mdanalysis-version }}
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run: |
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pip install --upgrade pip
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if [ "${{ matrix.mdanalysis-version }}" = "latest" ]; then
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pip install -e .[testing]
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pip install MDAnalysis
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else
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pip install -e .[testing]
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pip install "MDAnalysis==${{ matrix.mdanalysis-version }}"
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fi
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- name: Run tests
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run: pytest --cov CodeEntropy --cov-report=term-missing --cov-append

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