Skip to content
PyPi Package Deployment

testing after pypi deployment fix #6

Sign in to view logs

testing after pypi deployment fix

testing after pypi deployment fix #6

Workflow file for this run

.github/workflows/deploy.yml at b3997d2
name: PyPi Package Deployment
on:
push:
tags:
- "*"
release:
types:
- published
concurrency:
group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}"
cancel-in-progress: false
defaults:
run:
shell: bash -l {0}
jobs:
build:
name: Build package
runs-on: ubuntu-latest
outputs:
version: ${{ steps.extract-version.outputs.version }}
steps:
- name: Checkout
uses: actions/checkout@v6
with:
fetch-depth: 0
fetch-tags: true
- name: Set up Python
uses: actions/setup-python@v6
with:
python-version: "3.14"
- name: Install build dependencies
run: |
python -m pip install --upgrade pip
pip install build twine
- name: Build package (binary wheel and source distribution package)
run: python -m build
- name: Check package
run: twine check dist/*
- name: Extract package version
id: extract-version
run: |
WHEEL_FILE=$(ls dist/*.whl)
VERSION=$(basename "$WHEEL_FILE" | sed -n 's/mdanalysisdata-\([^-]*\)-.*/\1/p')
if [ -z "$VERSION" ]; then
python -m pip install --upgrade pip
pip install "$WHEEL_FILE" --quiet
VERSION=$(python -c "import MDAnalysisData; print(MDAnalysisData.__version__)")
pip uninstall -y MDAnalysisData --quiet
fi
echo "version=$VERSION" >> "$GITHUB_OUTPUT"
echo "Extracted version: $VERSION"
- name: Upload dist files
uses: actions/upload-artifact@v7
with:
name: dist-files
path: dist/
retention-days: 1
test-pytest:
name: Run tests
runs-on: ubuntu-latest
needs: build
steps:
- name: Set up Python
uses: actions/setup-python@v6
with:
python-version: "3.14"
- name: Download dist files
uses: actions/download-artifact@v8
with:
name: dist-files
path: dist/
- name: Install package with test dependencies and tests
run: |
python -m pip install --upgrade pip
WHEEL_FILE=$(ls dist/*.whl)
pip install "${WHEEL_FILE}[test]"
- name: Test import
run: |
python -c "import MDAnalysisData; print(f'Package {MDAnalysisData.__version__} imported successfully')"
- name: Run tests (without data file downloads)
run: |
pytest --verbose -m "not online" --pyargs MDAnalysisData
deploy-testpypi:
name: Deploy to TestPyPI
runs-on: ubuntu-latest
needs: [build, test-pytest]
if: |
github.repository == 'MDAnalysis/MDAnalysisData' &&
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/'))
environment:
name: testpypi
url: https://test.pypi.org/p/MDAnalysisData
permissions:
id-token: write # IMPORTANT: mandatory for trusted publishing
steps:
- name: Download dist files
uses: actions/download-artifact@v8
with:
name: dist-files
path: dist/
- name: Publish to TestPyPI
uses: pypa/gh-action-pypi-publish@v1.13.0
with:
repository-url: https://test.pypi.org/legacy/
verbose: true # useful debugging info (eg wrong classifiers)
skip-existing: true # allows repeated testing with same tag
deploy-pypi:
name: Deploy to PyPI
runs-on: ubuntu-latest
needs: [build, test-pytest]
if: |
github.repository == 'MDAnalysis/MDAnalysisData' &&
(github.event_name == 'release' && github.event.action == 'published')
environment:
name: pypi
url: https://pypi.org/p/MDAnalysisData
permissions:
id-token: write # IMPORTANT: mandatory for trusted publishing
steps:
- name: Download dist files
uses: actions/download-artifact@v8
with:
name: dist-files
path: dist/
- name: Publish to PyPI
uses: pypa/gh-action-pypi-publish@v1.13.0
test-deployed-testpypi:
name: Test deployed package (TestPyPI)
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest, macos-latest]
needs: [build, deploy-testpypi]
if: |
github.repository == 'MDAnalysis/MDAnalysisData' &&
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/'))
steps:
- name: Set up Python
uses: actions/setup-python@v6
with:
python-version: "3.14"
- name: Checkout repository for actions
uses: actions/checkout@v6
with:
path: source # put code under different path and do not cd to avoid interference with pytest invocation (missing authors.py)
- name: Wait for version to be available on TestPyPI
uses: ./source/.github/actions/wait-for-pypi-version
with:
repository: testpypi
package: MDAnalysisData
version: ${{ needs.build.outputs.version }}
- name: Install from TestPyPI
run: |
python -m pip install --upgrade pip
pip install --index-url https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple/ "MDAnalysisData[test]==${{ needs.build.outputs.version }}"
- name: Test import
run: |
python -c "import MDAnalysisData; print(f'Package {MDAnalysisData.__version__} imported successfully from TestPyPi')"
- name: Run tests
run: |
pytest --verbose -m "not online" --pyargs MDAnalysisData
test-deployed-pypi:
name: Test deployed package (PyPI)
runs-on: ${{ matrix.os }}
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest, macos-latest]
needs: [build, deploy-pypi]
if: |
github.repository == 'MDAnalysis/MDAnalysisData' &&
(github.event_name == 'release' && github.event.action == 'published')
steps:
- name: Set up Python
uses: actions/setup-python@v6
with:
python-version: "3.14"
- name: Checkout repository for actions
uses: actions/checkout@v6
with:
path: source # put code under different path and do not cd to avoid interference with pytest invocation (missing authors.py)
- name: Wait for version to be available on PyPI
uses: ./source/.github/actions/wait-for-pypi-version
with:
repository: pypi
package: MDAnalysisData
version: ${{ needs.build.outputs.version }}
- name: Install from PyPI
run: |
python -m pip install --upgrade pip
pip install "MDAnalysisData[test]==${{ needs.build.outputs.version }}"
- name: Test import
run: |
python -c "import MDAnalysisData; print(f'Package {MDAnalysisData.__version__} imported successfully from PyPi')"
- name: Run tests
run: |
pytest --verbose -m "not online" --pyargs MDAnalysisData