GH Actions CI #183
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name: GH Actions CI | |
on: | |
push: | |
branches: | |
- main | |
pull_request: | |
branches: | |
- main | |
schedule: | |
# Weekly tests at midnight on Sundays run on main by default: | |
# Scheduled workflows run on the latest commit on the default or base branch. | |
# (from https://help.github.com/en/actions/reference/events-that-trigger-workflows#scheduled-events-schedule) | |
- cron: "0 0 * * 0" | |
concurrency: | |
# Specific group naming so CI is only cancelled | |
# within same PR or on merge to main | |
group: ${{ github.ref }}-${{ github.head_ref }}-${{ github.workflow }} | |
cancel-in-progress: true | |
defaults: | |
run: | |
shell: bash -l {0} | |
jobs: | |
main-tests: | |
if: "github.repository == 'MDAnalysis/mdaencore'" | |
runs-on: ${{ matrix.os }} | |
strategy: | |
fail-fast: false | |
matrix: | |
# macos-13 is x86_64 and macos-14 is arm64 | |
os: [ubuntu-latest, windows-latest, macos-14, macos-13] | |
python-version: ["3.10", "3.11", "3.12"] | |
mdanalysis-version: ["latest", "develop"] | |
# Manually exclude any combinations of the test matrix that can't be run | |
exclude: | |
# The latest release of MDAnalysis only supports up to Python 3.11 | |
# so we exclude 3.12 from the test matrix (issue #68) | |
- python-version: "3.12" | |
mdanalysis-version: "latest" | |
steps: | |
- uses: actions/checkout@v4 | |
with: | |
fetch-depth: 0 | |
- name: Build information | |
run: | | |
uname -a | |
df -h | |
ulimit -a | |
# More info on options: https://github.com/conda-incubator/setup-miniconda | |
- name: Install conda dependencies | |
uses: conda-incubator/setup-miniconda@v3 | |
with: | |
python-version: ${{ matrix.python-version }} | |
environment-file: devtools/conda-envs/test_env.yaml | |
add-pip-as-python-dependency: true | |
miniforge-variant: Mambaforge | |
use-mamba: true | |
channels: conda-forge, defaults | |
activate-environment: mdaencore-test | |
auto-update-conda: true | |
auto-activate-base: false | |
show-channel-urls: true | |
- name: Install MDAnalysis version | |
uses: MDAnalysis/install-mdanalysis@main | |
with: | |
version: ${{ matrix.mdanalysis-version }} | |
install-tests: true | |
installer: mamba | |
shell: bash -l {0} | |
- name: Install package | |
run: | | |
python --version | |
python -m pip install -e . --no-deps | |
- name: Python information | |
run: | | |
which python | |
which pip | |
pip list | |
conda info | |
conda list | |
- name: Test imports | |
run: | | |
python -Ic "import mdaencore; print(mdaencore.__version__)" | |
- name: Run tests | |
run: | | |
pytest -n auto -v --cov=mdaencore --cov-report=xml --color=yes --pyargs mdaencore | |
- name: codecov | |
if: github.repository == 'MDAnalysis/mdaencore' && github.event_name != 'schedule' | |
uses: codecov/codecov-action@v4 | |
with: | |
file: coverage.xml | |
name: codecov-${{ matrix.os }}-py${{ matrix.python-version }} | |
token: ${{ secrets.CODECOV_TOKEN }} | |
verbose: True | |
fail_ci_if_error: True | |
pylint_check: | |
if: "github.repository == 'MDAnalysis/mdaencore'" | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v4 | |
- name: Set up Python | |
uses: actions/setup-python@v4 | |
with: | |
python-version: "3.11" | |
- name: Install Pylint | |
run: | | |
which pip | |
which python | |
pip install pylint mdanalysis | |
- name: Run Pylint | |
env: | |
PYLINTRC: .pylintrc | |
run: | | |
pylint mdaencore | |
pypi_check: | |
if: "github.repository == 'MDAnalysis/mdaencore'" | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v4 | |
- name: Set up Python | |
uses: actions/setup-python@v4 | |
with: | |
python-version: "3.11" | |
- name: Install dependencies | |
run: | | |
pip install setuptools cython numpy twine | |
- name: Build package | |
run: | | |
python setup.py sdist | |
- name: Check package build | |
run: | | |
DISTRIBUTION=$(ls -t1 dist/mdaencore-*.tar.gz | head -n 1) | |
test -n "${DISTRIBUTION}" || { echo "no distribution dist/mdaencore-*.tar.gz found"; exit 1; } | |
echo "twine check $DISTRIBUTION" | |
twine check $DISTRIBUTION |