test travis

.travis.yml

@@ -0,0 +1,43 @@
+language: shell
+
+os:
+  - linux
+
+branches:
+  only:
+  - dig
+
+env:
+  jobs:
+    - TORCH_VERSION=1.6.0 PYTHON_VERSION=3.8 IDX=cpu
+
+install:
+  - source script/conda.sh
+  - conda create --yes -n test python="${PYTHON_VERSION}"
+  - source activate test
+  - conda install pytorch==${TORCH_VERSION} ${TOOLKIT} -c pytorch -c conda-forge --yes
+  - conda install -c rdkit rdkit
+  - pip install torch-scatter -f https://pytorch-geometric.com/whl/torch-${TORCH_VERSION}+${IDX}.html
+  - pip install torch-sparse -f https://pytorch-geometric.com/whl/torch-${TORCH_VERSION}+${IDX}.html
+  - pip install torch-cluster -f https://pytorch-geometric.com/whl/torch-${TORCH_VERSION}+${IDX}.html
+  - pip install torch-spline-conv -f https://pytorch-geometric.com/whl/torch-${TORCH_VERSION}+${IDX}.html
+  - pip install furo
+  - pip install numpy
+  - pip install sphinx==3.5.4
+  - pip install sphinx_rtd_theme==0.5.2
+  - pip install torch-geometric==1.7.0
+  - pip install git+https://github.com/Chilipp/autodocsumm.git
+  - pip install captum==0.2.0
+  - pip install cilog
+  - pip install typed-argument-parser==1.5.4 
+  - pip install tensorboard
+  - python setup.py install
+
+script:
+  - python setup.py test
+
+# after_success:
+#   - codecov
+
+notifications:
+  email: false

script/conda.sh

@@ -0,0 +1,16 @@
+#!/bin/bash
+
+if [ "${TRAVIS_OS_NAME}" = "linux" ]; then
+  wget -nv https://repo.anaconda.com/miniconda/Miniconda3-latest-Linux-x86_64.sh -O miniconda.sh
+  chmod +x miniconda.sh
+  ./miniconda.sh -b
+  PATH=/home/travis/miniconda3/bin:${PATH}
+fi
+
+conda update --yes conda
+
+conda create --yes -n test python="${PYTHON_VERSION}"
+
+if [ "${TRAVIS_OS_NAME}" = "linux" ]; then
+  export TOOLKIT=cpuonly
+fi

setup.cfg

@@ -0,0 +1,2 @@
+[aliases]
+test=pytest

setup.py

@@ -4,6 +4,9 @@
 with open("README.md", "r") as fh:
     long_description = fh.read()
 
+setup_requires = ['pytest-runner']
+tests_require = ['pytest', 'pytest-cov', 'mock']
+
 setuptools.setup(
     name="dive_into_graphs",
     version=__version__,
@@ -36,4 +39,7 @@
                       'IPython',
                       'tqdm'],
     python_requires='>=3.6',
+    setup_requires=setup_requires,
+    tests_require=tests_require,
+    extras_require={'test': tests_require},
 )

test/datasets/test_ZINC250k.py

@@ -0,0 +1,7 @@
+from dig.ggraph.dataset import ggraph_dataset
+
+dataset = ggraph_dataset.ZINC250k(root='./dataset', prop_name='penalized_logp')
+loader = DataLoader(dataset, batch_size=32, shuffle=True)
+data = next(iter(loader))
+assert data.y == 32
+#Batch(adj=[128, 38, 38], batch=[1216], bfs_perm_origin=[1216], num_atom=[32], ptr=[33], smile=[32], x=[1216, 9], y=[32])