Fix residence time save curve path; fix ligpargen url; fix connection not private #297
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| name: Test | |
| on: | |
| # Trigger the workflow on push or pull request, | |
| # but only for the main branch | |
| push: | |
| branches: | |
| - main | |
| pull_request: | |
| branches: | |
| - main | |
| jobs: | |
| test: | |
| strategy: | |
| max-parallel: 20 | |
| matrix: | |
| os: [ macos-latest ] | |
| python-version: [ 3.8, 3.9 ] | |
| # This distribution of tests is designed to ensure an approximately even time to finish for parallel jobs. | |
| pkg: | |
| - tests --ignore=tests/test_mdgopackmol.py | |
| runs-on: ${{ matrix.os }} | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - uses: actions/cache@v2 | |
| if: startsWith(runner.os, 'macOS') | |
| with: | |
| path: ~/Library/Caches/pip | |
| key: ${{ runner.os }}-pip-${{ hashFiles('requirements.txt') }} | |
| restore-keys: | | |
| ${{ runner.os }}-pip- | |
| - uses: actions/cache@v2 | |
| if: startsWith(runner.os, 'Windows') | |
| with: | |
| path: ~\AppData\Local\pip\Cache | |
| key: ${{ runner.os }}-pip-${{ hashFiles('**/requirements.txt') }} | |
| restore-keys: | | |
| ${{ runner.os }}-pip- | |
| - name: Install dependencies | |
| run: | | |
| pip install --upgrade pip wheel | |
| pip install -r requirements.txt | |
| pip install -r requirements-dev.txt | |
| pip install -e . | |
| - name: Prepare Packmol | |
| run: | | |
| echo $HOME | |
| echo "$HOME/work/mdgo/mdgo/tests/packmol" >> $GITHUB_PATH | |
| - name: Prepare Selenium | |
| # https://github.com/marketplace/actions/setup-chromedriver | |
| uses: nanasess/setup-chromedriver@master | |
| - name: Start XVFB | |
| run: | | |
| export DISPLAY=:99 | |
| chromedriver --url-base=/wd/hub & | |
| sudo Xvfb -ac :99 -screen 0 1280x1024x24 > /dev/null 2>&1 & # optional | |
| - name: pytest ${{ matrix.pkg }} | |
| run: | | |
| pytest ${{ matrix.pkg }} |