Support adding R side chains to molecule #54
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name: Format Code | |
on: | |
push: | |
branches: | |
- master | |
pull_request: | |
branches: | |
- master | |
release: | |
types: [published, edited] | |
jobs: | |
format: | |
runs-on: ubuntu-latest | |
steps: | |
- name: Checkout code | |
uses: actions/checkout@v4 | |
- name: Install dependencies | |
run: pip install ruff | |
- name: Check code with ruff | |
run: ruff check . | |
- name: Format code with ruff | |
run: ruff format . | |
deploy: | |
needs: [format] | |
name: deploy to pypi | |
runs-on: ubuntu-latest | |
# this checks that the commit is a tagged commit | |
if: github.event_name == 'release' && (github.event.action == 'published' || github.event.action == 'edited') | |
steps: | |
- uses: actions/checkout@v4 | |
with: | |
fetch-depth: 0 | |
- name: Set up Python | |
uses: actions/setup-python@v5 | |
with: | |
python-version: 3.8 | |
- name: Install dependencies | |
run: | | |
python -m pip install --upgrade pip | |
python -m pip install build | |
- name: Build a binary wheel and a source tarball | |
run: | | |
python -m build . | |
# push all tagged versions to pypi.org | |
- name: Publish package to PyPI | |
uses: pypa/gh-action-pypi-publish@release/v1 | |
with: | |
user: __token__ | |
password: ${{ secrets.PYPI_TOKEN }} |