Build and upload to PyPI #18
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name: Build and upload to PyPI | |
on: | |
pull_request: | |
branches: | |
- "package-*" | |
push: | |
branches: | |
- "package-*" | |
tags: | |
- "package-*" | |
release: | |
types: | |
- published | |
schedule: | |
# 3 am Tuesdays and Fridays | |
- cron: "0 3 * * 2,5" | |
concurrency: | |
group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}" | |
cancel-in-progress: true | |
defaults: | |
run: | |
shell: bash -l {0} | |
jobs: | |
build_wheels: | |
if: "github.repository == 'MDAnalysis/mdanalysis'" | |
name: Build wheels | |
runs-on: ${{ matrix.buildplat[0] }} | |
timeout-minutes: 15 | |
strategy: | |
fail-fast: false | |
matrix: | |
buildplat: | |
- [ubuntu-22.04, manylinux_x86_64, x86_64] | |
- [macos-11, macosx_*, x86_64] | |
- [windows-2019, win_amd64, AMD64] | |
python: ["cp39", "cp310", "cp311", "cp312"] | |
defaults: | |
run: | |
working-directory: ./package | |
steps: | |
- uses: actions/checkout@v4 | |
with: | |
fetch-depth: 0 | |
- name: Build wheels | |
uses: pypa/[email protected] | |
with: | |
package-dir: package | |
env: | |
CIBW_BUILD: ${{ matrix.python }}-${{ matrix.buildplat[1] }} | |
CIBW_ARCHS: ${{ matrix.buildplat[2] }} | |
CIBW_BUILD_VERBOSITY: 1 | |
- name: upload artifacts | |
if: | | |
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/package')) || | |
(github.event_name == 'release' && github.event.action == 'published') | |
uses: actions/upload-artifact@v3 | |
with: | |
path: wheelhouse/*.whl | |
retention-days: 7 | |
build_sdist: | |
if: "github.repository == 'MDAnalysis/mdanalysis'" | |
name: build package source distribution | |
runs-on: ubuntu-latest | |
timeout-minutes: 10 | |
defaults: | |
run: | |
working-directory: ./package | |
steps: | |
- uses: actions/checkout@v4 | |
with: | |
fetch-depth: 0 | |
- name: Build sdist | |
run: pipx run build --sdist | |
- name: upload artifacts | |
if: | | |
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/package')) || | |
(github.event_name == 'release' && github.event.action == 'published') | |
uses: actions/upload-artifact@v3 | |
with: | |
path: package/dist/*.tar.gz | |
retention-days: 7 | |
build_sdist_tests: | |
if: "github.repository == 'MDAnalysis/mdanalysis'" | |
name: build test source distribution | |
runs-on: ubuntu-latest | |
timeout-minutes: 10 | |
defaults: | |
run: | |
working-directory: ./testsuite | |
steps: | |
- uses: actions/checkout@v4 | |
with: | |
fetch-depth: 0 | |
- name: Build sdist | |
run: pipx run build --sdist | |
- name: upload artifacts | |
if: | | |
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/package')) || | |
(github.event_name == 'release' && github.event.action == 'published') | |
uses: actions/upload-artifact@v3 | |
with: | |
path: testsuite/dist/*.tar.gz | |
retention-days: 7 | |
upload_testpypi_mdanalysis: | |
if: | | |
github.repository == 'MDAnalysis/mdanalysis' && | |
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/package')) | |
name: testpypi_upload_mdanalysis | |
environment: | |
name: deploy | |
url: https://test.pypi.org/p/mdanalysis | |
permissions: | |
id-token: write | |
runs-on: ubuntu-latest | |
needs: [build_wheels, build_sdist, build_sdist_tests] | |
steps: | |
- uses: actions/download-artifact@v3 | |
with: | |
name: artifact | |
path: dist | |
- name: move_test_dist | |
run: | | |
mkdir -p testsuite/dist | |
mv dist/MDAnalysisTests-* testsuite/dist | |
- name: upload_source_and_wheels | |
uses: pypa/[email protected] | |
with: | |
skip_existing: true | |
repository_url: https://test.pypi.org/legacy/ | |
upload_testpypi_mdanalysistests: | |
if: | | |
github.repository == 'MDAnalysis/mdanalysis' && | |
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/package')) | |
name: testpypi_upload_mdanalysistests | |
environment: | |
name: deploy | |
url: https://test.pypi.org/p/mdanalysis | |
permissions: | |
id-token: write | |
runs-on: ubuntu-latest | |
needs: [build_wheels, build_sdist, build_sdist_tests] | |
steps: | |
- uses: actions/download-artifact@v3 | |
with: | |
name: artifact | |
path: dist | |
- name: move_test_dist | |
run: | | |
mkdir -p testsuite/dist | |
mv dist/MDAnalysisTests-* testsuite/dist | |
- name: upload_tests | |
uses: pypa/[email protected] | |
with: | |
packages_dir: testsuite/dist | |
skip_existing: true | |
repository_url: https://test.pypi.org/legacy/ | |
upload_pypi_mdanalysis: | |
if: | | |
github.repository == 'MDAnalysis/mdanalysis' && | |
github.event_name == 'release' && github.event.action == 'published' | |
name: pypi_upload_mdanalysis | |
environment: | |
name: deploy | |
url: https://pypi.org/p/mdanalysis | |
permissions: | |
id-token: write | |
runs-on: ubuntu-latest | |
needs: [build_wheels, build_sdist, build_sdist_tests] | |
steps: | |
- uses: actions/download-artifact@v3 | |
with: | |
name: artifact | |
path: dist | |
- name: move_test_dist | |
run: | | |
mkdir -p testsuite/dist | |
mv dist/MDAnalysisTests-* testsuite/dist | |
- name: upload_source_and_wheels | |
uses: pypa/[email protected] | |
upload_pypi_mdanalysistests: | |
if: | | |
github.repository == 'MDAnalysis/mdanalysis' && | |
github.event_name == 'release' && github.event.action == 'published' | |
name: pypi_upload_mdanalysistests | |
environment: | |
name: deploy | |
url: https://pypi.org/p/mdanalysistests | |
permissions: | |
id-token: write | |
runs-on: ubuntu-latest | |
needs: [build_wheels, build_sdist, build_sdist_tests] | |
steps: | |
- uses: actions/download-artifact@v3 | |
with: | |
name: artifact | |
path: dist | |
- name: move_test_dist | |
run: | | |
mkdir -p testsuite/dist | |
mv dist/MDAnalysisTests-* testsuite/dist | |
- name: upload_tests | |
uses: pypa/[email protected] | |
with: | |
packages_dir: testsuite/dist | |
check_testpypi: | |
if: | | |
github.repository == 'MDAnalysis/mdanalysis' && | |
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/package')) | |
name: testpypi check | |
runs-on: ${{ matrix.os }} | |
timeout-minutes: 60 | |
needs: [upload_testpypi_mdanalysis, upload_testpypi_mdanalysistests] | |
strategy: | |
fail-fast: false | |
matrix: | |
os: [ubuntu-latest, macos-latest, windows-latest] | |
python-version: ["3.9", "3.10", "3.11", "3.12"] | |
type: ["FULL", "MIN"] | |
exclude: | |
# Multiple deps don't like windows | |
- os: windows-latest | |
type: "FULL" | |
env: | |
MPLBACKEND: agg | |
steps: | |
- uses: actions/checkout@v4 | |
- name: setup_micromamba | |
uses: mamba-org/setup-micromamba@v1 | |
with: | |
environment-name: mda | |
create-args: >- | |
python=${{ matrix.python-version }} | |
packaging | |
pip | |
# jaime's shim to avoid pulling down the cudatoolkit | |
# bioconda for clustalw things | |
condarc: | | |
channels: | |
- jaimergp/label/unsupported-cudatoolkit-shim | |
- conda-forge | |
- bioconda | |
- name: install_full_deps | |
uses: ./.github/actions/setup-deps | |
if: "matrix.type == 'FULL'" | |
with: | |
micromamba: true | |
full-deps: true | |
- name: pip_install_mda | |
run: | | |
awk '/__version__ =/ {print $3; exit}' package/MDAnalysis/version.py | tr -d \" > version.dat | |
ver=$(python maintainer/norm_version.py --file version.dat) | |
pip install --index-url https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple MDAnalysis==$ver | |
pip install --index-url https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple MDAnalysisTests==$ver | |
- name: install_min_deps | |
if: "matrix.type == 'MIN'" | |
run: | | |
pip install pytest-xdist pytest-timeout | |
- name: run_tests | |
run: | | |
pytest --timeout=200 -n auto --pyargs MDAnalysisTests |