tox.ini

[tox]
minversion = 3.8.0
envlist = py3{9,10,11,12}-{cpu,osx,gpu}-{notest,test,lightbenchtest}
isolated_build = true

[gh-actions]
python =
    3.9: py39
    3.10: py310
    3.11: py311
    3.12: py312

[gh-actions:env]
RUN_SETTINGS =
    cpu-test: cpu-test
    osx-test: osx-test
    gpu-test: gpu-test
    cpu-lightbenchtest: cpu-lightbenchtest
    osx-lightbenchtest: osx-lightbenchtest
    gpu-lightbenchtest: gpu-lightbenchtest
    cpu-notest: cpu-notest
    osx-notest: osx-notest
    gpu-notest: gpu-notest

[testenv]
setenv =
    PYTHONPATH = {toxinidir}
extras =
    dev
commands =
    pip install -U pip

    # Install torch related dependencies with CUDA 11.8
    gpu: pip install torch==2.0.1 torchvision==0.15.2 --index-url https://download.pytorch.org/whl/cu118
    cpu: pip install torch==2.0.1 torchvision==0.15.2 --index-url https://download.pytorch.org/whl/cpu
    osx: pip install torch==2.0.1 torchvision==0.15.2

    # Custom installation for PyG, cf. https://github.com/rusty1s/pytorch_scatter/pull/268
    pip install torch_geometric==2.3.1
    # gpu: pip install pyg-lib==0.2.0 -f https://data.pyg.org/whl/torch-2.0.0+cu118.html
    # {cpu,osx}: pip install pyg-lib==0.2.0 -f https://data.pyg.org/whl/torch-2.0.0+cpu.html

    # Custom installation for DGL
    gpu: pip install dgl==1.1.2 -f https://data.dgl.ai/wheels/cu118/repo.html
    {cpu,osx}: pip install dgl==1.1.2 -f https://data.dgl.ai/wheels/repo.html

    ### PyTorch 1.12.1, PyG 2.1.0, DGL 1.0, CUDA 10.2
    # gpu: pip install torch==1.12.1+cu102 torchvision==0.13.1+cu102 --extra-index-url https://download.pytorch.org/whl/cu102
    # cpu: pip install torch==1.12.1+cpu torchvision==0.13.1+cpu --extra-index-url https://download.pytorch.org/whl/cpu
    # osx: pip install torch==1.12.1 torchvision==0.13.1
    # # Custom installation for PyG, cf. https://github.com/rusty1s/pytorch_scatter/pull/268
    # gpu: pip install torch-scatter torch-sparse torch-cluster torch-geometric -f https://data.pyg.org/whl/torch-1.12.1+cu102.html
    # {cpu,osx}: pip install torch-geometric==2.1.0 torch-scatter torch-sparse torch-cluster -f https://data.pyg.org/whl/torch-1.12.1+cpu.html
    # # Custom installation for DGL
    # gpu: pip install dgl-cu102 -f https://data.dgl.ai/wheels/repo.html
    # {cpu,osx}: pip install dgl -f https://data.dgl.ai/wheels/repo.html

    # Install the rest of the dependencies
    pip install -r {toxinidir}/requirements.txt

    # Check installation
    python --version
    python -c "import torch; print(f'Successfully installed pytorch {torch.__version__}\n{torch.__file__}')"
    python -c "import torch_geometric, torch_geometric.nn; print(f'Successfully installed pyg {torch_geometric.__version__}')"
    python -c "import dgl; print(f'Successfully installed dgl {dgl.__version__}')"
    python -c "import dance; print(f'Successfully installed dance {dance.__version__}')"

    # Run tests
    test: pytest tests/ -k "not test_bench" -v
    lightbenchtest: pytest tests/ -k test_bench -v