vv10 hessian Fock 1st derivative term without grid response done, cor… #603
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name: Lint | |
on: [push, pull_request] | |
jobs: | |
ruff: | |
runs-on: ubuntu-latest | |
steps: | |
- name: Checkout | |
uses: actions/checkout@v4 | |
- name: Install ruff | |
run: pip install ruff | |
- name: Check style | |
run: ruff check --config .ruff.toml gpu4pyscf | |
- name: Check NumPy | |
run: ruff check --select NPY --ignore NPY002 gpu4pyscf | |
flake: | |
runs-on: ubuntu-latest | |
steps: | |
- name: Checkout | |
uses: actions/checkout@v4 | |
- name: Set up Python | |
uses: actions/setup-python@v4 | |
with: | |
python-version: 3.9 | |
- name: Install flake8 | |
run: pip install "flake8>=3.7.0" | |
- name: Static analysis | |
run: flake8 --config .flake8 gpu4pyscf |