only argparse #85
Workflow file for this run
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| name: Test Pull Request | |
| on: [pull_request] | |
| jobs: | |
| lint: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ['3.8'] | |
| steps: | |
| - uses: actions/checkout@v1 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Cache .cache/pip | |
| uses: actions/cache@v3 | |
| id: cache-pip | |
| with: | |
| path: ~/.cache/pip | |
| key: pip_cache_py_${{ matrix.python-version }} | |
| - name: Install package | |
| run: pip install -r requirements.txt | |
| - name: Flake8 | |
| run: flake8 | |
| - name: Black | |
| uses: psf/[email protected] | |
| - name: Check import order | |
| uses: isort/isort-action@v1 | |
| with: | |
| isort-version: 5.12.0 | |
| configuration: --check --diff --profile black | |
| test: | |
| runs-on: ubuntu-latest | |
| strategy: | |
| matrix: | |
| python-version: ['3.8'] | |
| steps: | |
| - uses: actions/checkout@v1 | |
| - uses: actions/setup-python@v4 | |
| with: | |
| python-version: ${{ matrix.python-version }} | |
| - name: Cache .cache/pip | |
| uses: actions/cache@v3 | |
| id: cache-pip | |
| with: | |
| path: ~/.cache/pip | |
| key: pip_cache_py_${{ matrix.python-version }} | |
| - name: Install pytest | |
| run: pip install pytest | |
| - name: install package | |
| run: pip install -r requirements.txt | |
| - name: run pytests | |
| run: pytest tests | |
| - name: Install cuda-toolkit | |
| run: | | |
| sudo apt update | |
| sudo apt install nvidia-cuda-toolkit | |
| nvcc --version | |
| echo $LD_LIBRARY_PATH | |
| - name: Run test CLI calls for example | |
| run: | | |
| set -e | |
| dfpl train -f example/train.json | |
| if [ ! -d example/results_train/ ]; then | |
| echo "training result directory missing" >&2 | |
| exit 1 | |
| fi | |
| tree example | |
| dfpl predict -f example/predict.json | |
| if [ ! -d example/results_predict/ ]; then | |
| echo "predict result directory missing" >&2 | |
| exit 1 | |
| fi | |
| echo "result lines "$(wc -l example/results_predict/smiles.csv) | |
| if [ "$(cat example/results_predict/smiles.csv | wc -l)" -lt "6" ]; then | |
| echo "predict result should have at least 6 lines. But had only $(cat example/results_predict/smiles.csv | wc -l)" >&2 | |
| exit 1 | |
| fi | |
| tree example | |
| dfpl traingnn -f example/traingnn.json | |
| if [ ! -d dmpnn-random/ ]; then | |
| echo "predict result directory missing" >&2 | |
| exit 1 | |
| fi | |
| tree example | |
| dfpl predictgnn -f example/predictgnn.json | |
| if [ ! -d preds_dmpnn/ ]; then | |
| echo "predict result directory missing" >&2 | |
| exit 1 | |
| fi | |
| echo "result lines "$(wc -l preds_dmpnn/DMPNN_preds.csv) | |
| if [ "$(cat preds_dmpnn/DMPNN_preds.csv | wc -l)" -lt "6" ]; then | |
| echo "predict result should have at least 5 lines. But had only $(cat preds_dmpnn/DMPNN_preds.csv | wc -l)" >&2 | |
| exit 1 | |
| fi | |
| dfpl convert -f tests/data |