Enable pretraining for excited states, add pure-JAX GTO, make Scf tra… #121
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| name: CI | |
| on: | |
| # Trigger the workflow on push or pull request, | |
| # only on the main branch | |
| push: | |
| branches: | |
| - main | |
| pull_request: | |
| branches: | |
| - main | |
| workflow_dispatch: | |
| jobs: | |
| lint_and_typecheck: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ['3.10'] | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Get pip cache dir | |
| id: pip-cache | |
| run: | | |
| python -m pip install --upgrade pip | |
| echo "::set-output name=dir::$(pip cache dir)" | |
| - name: pip cache | |
| uses: actions/cache@v2 | |
| with: | |
| path: ${{ steps.pip-cache.outputs.dir }} | |
| key: ${{ runner.os }}-pip-${{ hashFiles('**/setup.py') }} | |
| restore-keys: | | |
| ${{ runner.os }}-pip- | |
| - name: Install dependencies | |
| run: | | |
| pip install -e '.[testing]' | |
| - name: Lint with flake8 | |
| run: | | |
| flake8 . | |
| - name: Lint with pylint | |
| run: | | |
| pylint --fail-under 9.75 ferminet | |
| # Current pytype release doesn't support inheritance with dataclasses. | |
| # - name: Type check with pytype | |
| # run: | | |
| # pytype ferminet | |
| build: | |
| name: "build ${{ matrix.name-prefix }} (py ${{ matrix.python-version }} on ${{ matrix.os }})" | |
| runs-on: ${{ matrix.os }} | |
| strategy: | |
| matrix: | |
| include: | |
| - name-prefix: "all tests" | |
| python-version: '3.10' | |
| os: ubuntu-latest | |
| package-overrides: "none" | |
| - name-prefix: "all tests" | |
| python-version: '3.11' | |
| os: ubuntu-latest | |
| package-overrides: "none" | |
| steps: | |
| - uses: actions/checkout@v2 | |
| - name: Set up Python ${{ matrix.python-version }} | |
| uses: actions/setup-python@v2 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Get pip cache dir | |
| id: pip-cache | |
| run: | | |
| python -m pip install --upgrade pip | |
| echo "::set-output name=dir::$(pip cache dir)" | |
| - name: pip cache | |
| uses: actions/cache@v2 | |
| with: | |
| path: ${{ steps.pip-cache.outputs.dir }} | |
| key: ${{ runner.os }}-pip-${{ hashFiles('**/setup.py') }} | |
| restore-keys: | | |
| ${{ runner.os }}-pip- | |
| - name: Install dependencies | |
| run: | | |
| pip install -e '.[testing]' | |
| if [ ${{ matrix.package-overrides }} != none ]; then | |
| pip install ${{ matrix.package-overrides }} | |
| fi | |
| - name: Run tests | |
| run: | | |
| python -m pytest | |
| - name: Run multi-device tests | |
| if: matrix.python-version == '3.11' | |
| run: | | |
| FERMINET_CHEX_N_CPU_DEVICES=2 python -m pytest ferminet/tests/train_test.py |