diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index b0792c99..dcd47445 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -13,15 +13,26 @@ jobs: steps: - uses: actions/checkout@v4 + - name: Set up Python ${{ matrix.python-version }} uses: actions/setup-python@v5 with: python-version: ${{ matrix.python-version }} + - name: Install dependencies run: | python -m pip install --upgrade pip python -m pip install --upgrade pip setuptools wheel python -m pip install torch torchvision torchaudio --index-url https://download.pytorch.org/whl/cpu python -m pip install -e . - - name: Display Python version - run: python -m unittest discover -s tests/unit + + - name: Display Python & Installed Packages + run: | + python --version + pip freeze + + - name: Run Unit Tests + run: python -m unittest discover -s tests/unit -v + env: + ACTIONS_STEP_DEBUG: true # Enable debug logs + ACTIONS_RUNNER_DEBUG: true # Additional debug logs from Github Actions itself diff --git a/chebai/train.py b/chebai/train.py index 06deec27..cc31d6ea 100644 --- a/chebai/train.py +++ b/chebai/train.py @@ -93,7 +93,7 @@ def crawl_info( def collate( - batch: List[Tuple[Molecule, torch.Tensor]] + batch: List[Tuple[Molecule, torch.Tensor]], ) -> Tuple[List[Molecule], torch.Tensor]: """ Collate function for DataLoader. diff --git a/setup.py b/setup.py index 58bfc75b..c391212c 100644 --- a/setup.py +++ b/setup.py @@ -34,7 +34,7 @@ "urllib3", "transformers", "fastobo", - "pysmiles", + "pysmiles==1.1.2", "scikit-network", "svgutils", "matplotlib",