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Update GitHub Actions workflow to use Python 3.10
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.github/workflows/tests.yml

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@@ -17,42 +17,42 @@ jobs:
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strategy:
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fail-fast: false
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matrix:
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python-version: ["3.7"]
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python-version: ["3.10"]
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os: [ubuntu-latest]
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runs-on: ${{ matrix.os }}
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steps:
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- uses: actions/checkout@v4
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with:
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lfs: true
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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: Set up conda
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uses: conda-incubator/setup-miniconda@v3
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with:
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python-version: ${{ matrix.python-version }}
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activate-environment: mdproptools-env
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- name: Install dependencies
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run: |
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source /usr/share/miniconda/etc/profile.d/conda.sh
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conda activate mdproptools-env
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conda install -c conda-forge openbabel
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pip install .[dev]
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- name: Run tests using pytest
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run: |
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source /usr/share/miniconda/etc/profile.d/conda.sh
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conda activate mdproptools-env
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pytest --durations=10 --cov=mdproptools --cov-report=xml -s
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- name: Upload coverage reports to Codecov
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uses: codecov/[email protected]
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with:
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token: ${{ secrets.CODECOV_TOKEN }}
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slug: molmd/mdproptools
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- uses: actions/checkout@v4
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with:
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lfs: true
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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: Set up conda
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uses: conda-incubator/setup-miniconda@v3
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with:
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python-version: ${{ matrix.python-version }}
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activate-environment: mdproptools-env
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- name: Install dependencies
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run: |
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source /usr/share/miniconda/etc/profile.d/conda.sh
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conda activate mdproptools-env
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conda install -c conda-forge openbabel
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pip install .[dev]
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- name: Run tests using pytest
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run: |
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source /usr/share/miniconda/etc/profile.d/conda.sh
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conda activate mdproptools-env
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pytest --durations=10 --cov=mdproptools --cov-report=xml -s
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- name: Upload coverage reports to Codecov
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uses: codecov/[email protected]
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with:
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token: ${{ secrets.CODECOV_TOKEN }}
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slug: molmd/mdproptools

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