Enable pmap for ERI value computation and sparse einsum and DFT integration #180
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| name: nanoDFT CLI | |
| on: | |
| pull_request: | |
| push: | |
| branches: [main] | |
| jobs: | |
| nanoDFT-cli: | |
| runs-on: ubuntu-20.04 | |
| steps: | |
| - uses: actions/checkout@v3 | |
| - uses: actions/setup-python@v3 | |
| with: | |
| python-version: "3.8.10" | |
| - name: Install default requirements | |
| run: | | |
| pip install -U pip | |
| pip install -e "." | |
| - name: Log installed environment | |
| run: | | |
| python3 -m pip freeze | |
| - name: Test nanoDFT CLI on CPU | |
| run: | | |
| nanoDFT | |