fix: linting #525
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name: tests | |
on: | |
push: | |
branches: | |
- "*" | |
pull_request: | |
branches: | |
- master | |
workflow_dispatch: | |
defaults: | |
run: | |
shell: bash -l {0} | |
concurrency: | |
group: "${{ github.ref }}-${{ github.head_ref }}" | |
cancel-in-progress: true | |
jobs: | |
build: | |
name: Build | |
# only run once if internal PR | |
if: github.event_name == 'push' || github.event.pull_request.head.repo.full_name != github.repository | |
uses: ./.github/workflows/_build-package.yml | |
with: | |
check-prerelease: ${{ github.event_name == 'workflow_dispatch' }} | |
cache-package: true | |
upload-package: true | |
test-files: true | |
test-imports: true | |
unit-tests: | |
name: Test ${{ matrix.label }} | |
runs-on: ${{ matrix.os }} | |
# only run once if internal PR | |
if: github.event_name == 'push' || github.event.pull_request.head.repo.full_name != github.repository | |
strategy: | |
matrix: | |
include: | |
- label: earliest | |
os: ubuntu-latest | |
python-version: 3.9 | |
mamba-deps: "rdkit==2022.09.1" | |
coverage: false | |
- label: baseline | |
os: ubuntu-latest | |
python-version: "3.10" | |
mamba-deps: "rdkit~=2023.03.1" | |
coverage: true | |
- label: latest | |
os: ubuntu-latest | |
python-version: "3.12" | |
# remove numpy<2 when MDAnalysis 2.8.0 is released | |
mamba-deps: "rdkit 'numpy<2'" | |
coverage: false | |
steps: | |
- name: Checkout | |
uses: actions/checkout@v4 | |
- name: Setup Conda | |
uses: conda-incubator/setup-miniconda@v3 | |
with: | |
python-version: ${{ matrix.python-version }} | |
auto-update-conda: true | |
use-mamba: true | |
miniforge-variant: Mambaforge | |
- name: Check conda and pip | |
run: | | |
which python | |
python --version | |
pip --version | |
conda --version | |
mamba --version | |
- name: Install conda dependencies | |
run: | | |
mamba install uv ${{ matrix.mamba-deps }} | |
mamba list | |
- name: Install package through pip | |
run: | | |
uv pip install .[dev] | |
uv pip list | |
- name: Run tests | |
run: | | |
pytest --color=yes --disable-pytest-warnings --cov=prolif --cov-report=xml tests/ | |
- name: Measure tests coverage | |
if: matrix.coverage | |
uses: codecov/codecov-action@v3 | |
with: | |
files: ./coverage.xml | |
fail_ci_if_error: true | |
verbose: true | |
token: ${{ secrets.CODECOV_TOKEN }} |