Fixing the loading of DM21 weights #5
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name: Installing Grad-DFT and running tests | |
on: [push] | |
jobs: | |
build: | |
runs-on: ${{ matrix.os }} | |
strategy: | |
matrix: | |
python-version: ["3.9", "3.10", "3.11"] | |
os: [ubuntu-latest, macos-latest] | |
steps: | |
- uses: actions/checkout@v3 | |
- name: Set up Python ${{ matrix.python-version }} | |
uses: actions/setup-python@v4 | |
with: | |
python-version: ${{ matrix.python-version }} | |
- name: Install base dependencies | |
run: | | |
python -m pip install --upgrade pip | |
pip install pytest | |
pip install -e . | |
- name: Install extra example dependencies | |
run: | | |
pip install -e ".[examples]" | |
- name: Run integration tests | |
run: | | |
pytest -v tests/integration/test_non_xc_energy.py | |