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update deployment workflow
Co-authored-by: Irfan Alibay <ialibay@mdanalysis.org>
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.github/workflows/deploy.yaml

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@@ -28,7 +28,7 @@ jobs:
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- name: Set up Python
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uses: actions/setup-python@v5
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with:
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python-version: "3.x"
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python-version: "3.14"
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- name: Install build dependencies
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run: |
@@ -50,31 +50,6 @@ jobs:
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path: dist/
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retention-days: 1
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test-install:
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name: Test package installation
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runs-on: ubuntu-latest
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needs: build
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steps:
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- name: Set up Python
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uses: actions/setup-python@v5
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with:
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python-version: "3.x"
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- name: Download dist files
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uses: actions/download-artifact@v4
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with:
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name: dist-files
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path: dist/
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- name: Install package
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run: |
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python -m pip install --upgrade pip
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pip install dist/*.whl
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- name: Run tests
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run: |
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python -c "import gridData; print(f'Package {gridData.__version__} imported successfully')"
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test-pytest:
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name: Run tests
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runs-on: ubuntu-latest
@@ -83,7 +58,7 @@ jobs:
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- name: Set up Python
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uses: actions/setup-python@v5
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with:
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python-version: "3.x"
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python-version: "3.14"
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- name: Download dist files
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uses: actions/download-artifact@v4
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WHEEL_FILE=$(ls dist/*.whl)
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pip install "$WHEEL_FILE"[test]
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- name: Run tests
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- name: Test import
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run: |
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python -c "import gridData; print(f'Package {gridData.__version__} imported successfully')"
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- name: Run basic tests
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run: |
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pytest --verbose --pyargs gridData
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@@ -121,7 +100,7 @@ jobs:
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path: dist/
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- name: Publish to TestPyPI
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uses: pypa/gh-action-pypi-publish@v1.12.4
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uses: pypa/gh-action-pypi-publish@v1.13.0
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with:
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repository-url: https://test.pypi.org/legacy/
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@@ -145,11 +124,14 @@ jobs:
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path: dist/
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- name: Publish to PyPI
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uses: pypa/gh-action-pypi-publish@v1.12.4
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uses: pypa/gh-action-pypi-publish@v1.13.0
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test-deployed-testpypi:
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name: Test deployed package (TestPyPI)
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runs-on: ubuntu-latest
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runs-on: ${{ matrix.os }}
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strategy:
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matrix:
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os: [ubuntu-latest, macos-latest]
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needs: deploy-testpypi
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if: |
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github.repository == 'MDAnalysis/GridDataFormats' &&
@@ -158,7 +140,7 @@ jobs:
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- name: Set up Python
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uses: actions/setup-python@v5
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with:
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python-version: "3.x"
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python-version: "3.14"
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- name: Install from TestPyPI
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run: |
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test-deployed-pypi:
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name: Test deployed package (PyPI)
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runs-on: ubuntu-latest
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runs-on: ${{ matrix.os }}
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strategy:
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matrix:
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os: [ubuntu-latest, macos-latest]
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needs: deploy-pypi
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if: |
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github.repository == 'MDAnalysis/GridDataFormats' &&
@@ -184,7 +169,7 @@ jobs:
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- name: Set up Python
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uses: actions/setup-python@v5
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with:
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python-version: "3.x"
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python-version: "3.14"
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- name: Install from PyPI
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run: |

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