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merge qmmm

merge qmmm #905

Workflow file for this run

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