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Integrate stk as a structure provider, and generate shapes for custom bonds #1545

Integrate stk as a structure provider, and generate shapes for custom bonds

Integrate stk as a structure provider, and generate shapes for custom bonds #1545

Workflow file for this run

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