Add xtb_molecular_optmization to chemical toolbox tools in ERIENE.yam… #911
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name: Tool linting | |
on: | |
push: | |
branches: [ master ] | |
pull_request: | |
branches: [ master ] | |
jobs: | |
build: | |
runs-on: ubuntu-latest | |
strategy: | |
matrix: | |
python-version: [3.7] | |
steps: | |
- uses: actions/checkout@v2 | |
with: | |
fetch-depth: 0 | |
- name: Set up Python ${{ matrix.python-version }} | |
uses: actions/setup-python@v2 | |
with: | |
python-version: ${{ matrix.python-version }} | |
- name: Cache downloads | |
uses: actions/cache@v1 | |
with: | |
path: ~/.cache/pip | |
key: cache-${{ matrix.python-version }} | |
- name: Install dependencies | |
run: | | |
python -m pip install --upgrade pip | |
if [ -f requirements.txt ]; then pip install -r requirements.txt; fi | |
- name: Perform linting | |
run: make pr_check |