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deploy.yaml
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name: Build and upload to PyPI
on:
# uncomment pr trigger when testing
# pull_request:
# branches:
# - "main"
push:
tags:
- "*"
release:
types:
- published
concurrency:
group: "${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }}"
cancel-in-progress: true
defaults:
run:
shell: bash
jobs:
build_wheels:
if: "github.repository == 'MDAnalysis/mdaencore'"
name: Build wheels
runs-on: ${{ matrix.buildplat[0] }}
timeout-minutes: 15
strategy:
fail-fast: false
matrix:
buildplat:
- [ubuntu-20.04, manylinux_x86_64, x86_64]
- [macos-11, macosx_*, x86_64]
- [windows-2019, win_amd64, AMD64]
- [macos-14, macosx_*, arm64]
python: ["cp39", "cp310", "cp311", "cp312"]
steps:
- uses: actions/checkout@v4
with:
fetch-depth: 0
- name: Build wheels
uses: pypa/[email protected]
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/')) ||
(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/mdaencore'"
name: build package source distribution
runs-on: ubuntu-latest
timeout-minutes: 10
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/')) ||
(github.event_name == 'release' && github.event.action == 'published')
uses: actions/upload-artifact@v3
with:
path: dist/*.tar.gz
retention-days: 7
upload_testpypi:
if: |
github.repository == 'MDAnalysis/mdaencore' &&
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/'))
name: testpypi upload
environment:
name: deploy
url: https://test.pypi.org/p/mdaencore
permissions:
id-token: write
runs-on: ubuntu-latest
needs: [build_wheels, build_sdist]
steps:
- uses: actions/download-artifact@v3
with:
name: artifact
path: dist
- name: upload_source_and_wheels
uses: pypa/[email protected]
with:
skip_existing: true
repository_url: https://test.pypi.org/legacy/
upload_pypi:
if: |
github.repository == 'MDAnalysis/mdaencore' &&
github.event_name == 'release' && github.event.action == 'published'
name: pypi upload
environment:
name: deploy
url: https://pypi.org/p/mdaencore
permissions:
id-token: write
runs-on: ubuntu-latest
needs: [build_wheels, build_sdist]
steps:
- uses: actions/download-artifact@v3
with:
name: artifact
path: dist
- name: upload_source_and_wheels
uses: pypa/[email protected]
check_testpypi:
if: |
github.repository == 'MDAnalysis/mdaencore' &&
(github.event_name == 'push' && startsWith(github.ref, 'refs/tags/'))
name: testpypi check
runs-on: ${{ matrix.os }}
timeout-minutes: 60
needs: upload_testpypi
strategy:
fail-fast: false
matrix:
os: [ubuntu-latest, macos-latest, windows-latest]
python-version: ["3.9", "3.10", "3.11", "3.12"]
steps:
- name: setup python
uses: actions/setup-python@v4
with:
python-version: ${{ matrix.python-version }}
- name: pip install
run: |
pip install --index-url https://test.pypi.org/simple/ --extra-index-url https://pypi.org/simple mdaencore
- name: install test deps
run: |
pip install pytest scikit-learn MDAnalysisTests
- name: run_tests
run: |
pytest -v --pyargs mdaencore