CI #326
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name: CI | |
on: | |
push: | |
branches: | |
- "main" | |
pull_request: | |
branches: | |
- "main" | |
schedule: | |
# Nightly tests run on master 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 * * *" | |
jobs: | |
test: | |
name: Test on ${{ matrix.os }}, Python ${{ matrix.python-version }} | |
runs-on: ${{ matrix.os }} | |
strategy: | |
matrix: | |
os: [ubuntu-latest] #, macOS-latest, windows-latest | |
python-version: [3.7, 3.9.4] # | |
steps: | |
- uses: actions/checkout@master | |
- name: Additional info about the build | |
shell: bash | |
run: | | |
uname -a | |
df -h | |
ulimit -a | |
#- uses: conda-incubator/setup-miniconda@v2 | |
# with: | |
# python-version: ${{ matrix.python-version }} | |
# channels: conda-forge,defaults,pytorch,pyg | |
# activate-environment: serenityff-charge-test | |
# environment-file: dev/conda-env/test_env.yaml | |
# auto-active-base: false | |
- uses: mamba-org/provision-with-micromamba@main | |
with: | |
python-version: ${{ matrix.python-version }} | |
environment-file: dev/conda-env/test_env.yaml | |
channels: conda-forge,defaults | |
activate-environment: serenityff-charge-test | |
auto-update-conda: true | |
auto-activate-base: false | |
show-channel-urls: true | |
- name: Install package | |
# conda setup requires this special shell | |
shell: bash -l {0} | |
run: | | |
python -m pip install . --no-deps | |
conda list | |
- name: Run tests | |
# conda setup requires this special shell | |
shell: bash -l {0} | |
# execute setup.py then run pytest | |
run: | | |
python setup.py install | |
pytest -v --color=yes serenityff/charge/tests/ --cov=serenityff --cov-report=xml | |
# - uses: codecov/codecov-action@v3 | |
# with: | |
# token: ${{ secrets.CODECOV_TOKEN }} | |
# flags: unittests | |
# name: codecov-umbrella | |
# fail_ci_if_error: false | |
# verbose: true |