Tests against betas #1138
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
name: Tests against betas | |
on: | |
workflow_dispatch: | |
schedule: | |
- cron: "0 0 * * *" | |
defaults: | |
run: | |
shell: bash -l {0} | |
jobs: | |
test: | |
runs-on: ${{ matrix.os }} | |
strategy: | |
fail-fast: false | |
matrix: | |
os: | |
- macos-latest | |
- ubuntu-latest | |
python-version: | |
- "3.10" | |
- "3.11" | |
pydantic-version: | |
- "2" | |
openeye: | |
- true | |
- false | |
env: | |
OE_LICENSE: ${{ github.workspace }}/oe_license.txt | |
COV: --cov=openff/interchange --cov-report=xml --cov-config=setup.cfg --cov-append | |
steps: | |
- uses: actions/checkout@v4 | |
with: | |
fetch-depth: 0 | |
- name: Install conda environment | |
uses: mamba-org/setup-micromamba@v1 | |
with: | |
micromamba-version: '1.5.10-0' | |
environment-file: devtools/conda-envs/beta_env.yaml | |
create-args: >- | |
python=${{ matrix.python-version }} | |
pydantic=${{ matrix.pydantic-version }} | |
- name: Install package | |
run: | | |
micromamba remove --force openff-interchange openff-interchange-base | |
python -m pip install . plugins/ | |
- name: Environment Information | |
run: conda info && conda list | |
- name: License OpenEye | |
if: ${{ matrix.openeye == true }} | |
run: | | |
echo "${SECRET_OE_LICENSE}" > ${OE_LICENSE} | |
python -c "from openeye import oechem; assert oechem.OEChemIsLicensed()" | |
env: | |
SECRET_OE_LICENSE: ${{ secrets.OE_LICENSE }} | |
- name: Run mypy | |
continue-on-error: true | |
run: mypy --show-error-codes --namespace-packages -p "openff.interchange" | |
- name: Run all tests | |
if: always() | |
run: python -m pytest -v $COV openff/interchange/ | |
- name: Codecov | |
uses: codecov/codecov-action@v5 | |
with: | |
token: ${{ secrets.CODECOV_TOKEN }} | |
files: ./coverage.xml |