Integrate stk as a structure provider, and generate shapes for custom bonds #1546
Workflow file for this run
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name: Tests & Lints | |
on: | |
push: | |
branches: [main] | |
pull_request: | |
# Check all PR | |
jobs: | |
# Javascript linting | |
npm-test: | |
runs-on: ubuntu-latest | |
steps: | |
- uses: actions/checkout@v3 | |
# we need the full history to be able to get the chemiscope version with | |
# git describe during the build | |
with: | |
fetch-depth: 0 | |
- uses: actions/setup-node@v3 | |
with: | |
node-version: '21.x' | |
cache: 'npm' | |
- name: configure access to git repositories in package-lock.json | |
run: git config --global url."https://github.com/".insteadOf ssh://[email protected] | |
- name: install npm dependencies | |
run: npm ci | |
- run: npm run build | |
- run: npm test | |
# Python unit tests | |
python-test: | |
runs-on: ubuntu-latest | |
strategy: | |
matrix: | |
python-version: ['3.9', '3.12'] | |
steps: | |
- uses: actions/checkout@v3 | |
# we need the full history to be able to get the chemiscope version with | |
# git describe during the build | |
with: | |
fetch-depth: 0 | |
- name: Set up Python ${{ matrix.python-version }} | |
uses: actions/setup-python@v4 | |
with: | |
python-version: ${{ matrix.python-version }} | |
- name: configure access to git repositories in package-lock.json | |
run: git config --global url."https://github.com/".insteadOf ssh://[email protected] | |
- name: Install dependencies | |
run: | | |
python -m pip install --upgrade pip | |
pip install tox==4.14.0 | |
- name: Run Python tests | |
run: tox |