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fix: cap terminal dummies before atom typing for correct OPLS-AA types #3

fix: cap terminal dummies before atom typing for correct OPLS-AA types

fix: cap terminal dummies before atom typing for correct OPLS-AA types #3

Workflow file for this run

name: Tests
on:
push:
branches: [ main, v1.0 ]
pull_request:
branches: [ main, v1.0 ]
jobs:
test:
runs-on: ubuntu-latest
strategy:
matrix:
python-version: ['3.10', '3.11', '3.12']
steps:
- uses: actions/checkout@v4
- name: Set up Python ${{ matrix.python-version }}
uses: actions/setup-python@v5
with:
python-version: ${{ matrix.python-version }}
cache: 'pip'
- name: Install dependencies
run: |
python -m pip install --upgrade pip
pip install -e .
pip install pytest pytest-cov pytest-mock pytest-randomly hypothesis
- name: Run tests with coverage
run: |
pytest --cov=AutoPoly --cov-report=xml --cov-report=term-missing
- name: Upload coverage to Codecov
uses: codecov/codecov-action@v4
if: matrix.python-version == '3.11'
with:
file: ./coverage.xml
fail_ci_if_error: false