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Tests against betas #976

Tests against betas

Tests against betas #976

Workflow file for this run

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-12
- ubuntu-latest
python-version:
- "3.10"
- "3.11"
pydantic-version:
- "2"
openeye:
- true
- false
env:
OE_LICENSE: ${{ github.workspace }}/oe_license.txt
COV: --cov=openff/interchange --cov-report=xml --cov-config=setup.cfg --cov-append
steps:
- uses: actions/checkout@v4
- name: Install conda environment
uses: mamba-org/setup-micromamba@v1
with:
environment-file: devtools/conda-envs/beta_env.yaml
create-args: >-
python=${{ 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/ -m "slow or not slow"
- name: Codecov
uses: codecov/codecov-action@v4
with:
token: ${{ secrets.CODECOV_TOKEN }}
file: ./coverage.xml
fail_ci_if_error: false