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Add xtb_molecular_optmization to chemical toolbox tools in ERIENE.yam… #911

Add xtb_molecular_optmization to chemical toolbox tools in ERIENE.yam…

Add xtb_molecular_optmization to chemical toolbox tools in ERIENE.yam… #911

Workflow file for this run

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