Merge pull request #431 from JacksonBurns/scipy19-fix

Keep Support for Python 3.7 and 3.8 when fixing `gilbrat` Issue

.gitignore

@@ -8,3 +8,4 @@
 *.sqlite3
 chemprop.egg-info
 docs/build
+dist/*

setup.py

@@ -3,75 +3,72 @@
 __version__ = "1.6.0"
 
 # Load README
-with open('README.md', encoding='utf-8') as f:
+with open("README.md", encoding="utf-8") as f:
     long_description = f.read()
 
 setup(
-    name='chemprop',
-    author='Kyle Swanson, Kevin Yang, Wengong Jin, Lior Hirschfeld, Allison Tam',
-    author_email='chemprop@mit.edu',
-    description='Molecular Property Prediction with Message Passing Neural Networks',
+    name="chemprop",
+    author="Kyle Swanson, Kevin Yang, Wengong Jin, Lior Hirschfeld, Allison Tam",
+    author_email="chemprop@mit.edu",
+    description="Molecular Property Prediction with Message Passing Neural Networks",
     long_description=long_description,
-    long_description_content_type='text/markdown',
-    url='https://github.com/chemprop/chemprop',
-    download_url=f'https://github.com/chemprop/chemprop/v_{__version__}.tar.gz',
+    long_description_content_type="text/markdown",
+    url="https://github.com/chemprop/chemprop",
+    download_url=f"https://github.com/chemprop/chemprop/v_{__version__}.tar.gz",
     project_urls={
-        'Documentation': 'https://chemprop.readthedocs.io/en/latest/',
-        'Source': 'https://github.com/chemprop/chemprop',
-        'PyPi': 'https://pypi.org/project/chemprop/',
-        'Demo': 'http://chemprop.csail.mit.edu/',
+        "Documentation": "https://chemprop.readthedocs.io/en/latest/",
+        "Source": "https://github.com/chemprop/chemprop",
+        "PyPi": "https://pypi.org/project/chemprop/",
+        "Demo": "http://chemprop.csail.mit.edu/",
     },
-    license='MIT',
+    license="MIT",
     packages=find_packages(),
-    package_data={'chemprop': ['py.typed']},
+    package_data={"chemprop": ["py.typed"]},
     entry_points={
-        'console_scripts': [
-            'chemprop_train=chemprop.train:chemprop_train',
-            'chemprop_predict=chemprop.train:chemprop_predict',
-            'chemprop_fingerprint=chemprop.train:chemprop_fingerprint',
-            'chemprop_hyperopt=chemprop.hyperparameter_optimization:chemprop_hyperopt',
-            'chemprop_interpret=chemprop.interpret:chemprop_interpret',
-            'chemprop_web=chemprop.web.run:chemprop_web',
-            'sklearn_train=chemprop.sklearn_train:sklearn_train',
-            'sklearn_predict=chemprop.sklearn_predict:sklearn_predict',
+        "console_scripts": [
+            "chemprop_train=chemprop.train:chemprop_train",
+            "chemprop_predict=chemprop.train:chemprop_predict",
+            "chemprop_fingerprint=chemprop.train:chemprop_fingerprint",
+            "chemprop_hyperopt=chemprop.hyperparameter_optimization:chemprop_hyperopt",
+            "chemprop_interpret=chemprop.interpret:chemprop_interpret",
+            "chemprop_web=chemprop.web.run:chemprop_web",
+            "sklearn_train=chemprop.sklearn_train:sklearn_train",
+            "sklearn_predict=chemprop.sklearn_predict:sklearn_predict",
         ]
     },
     install_requires=[
-        'flask>=1.1.2',
-        'hyperopt>=0.2.3',
-        'matplotlib>=3.1.3',
-        'numpy>=1.18.1',
-        'pandas>=1.0.3',
-        'pandas-flavor>=0.2.0',
-        'scikit-learn>=0.22.2.post1',
-        'scipy>=1.4.1',
-        'sphinx>=3.1.2',
-        'tensorboardX>=2.0',
-        'torch>=1.4.0',
-        'tqdm>=4.45.0',
-        'typed-argument-parser>=1.6.1',
-        'rdkit>=2020.03.1.0',
-        'descriptastorus'
+        "flask>=1.1.2",
+        "hyperopt>=0.2.3",
+        "matplotlib>=3.1.3",
+        "numpy>=1.18.1",
+        "pandas>=1.0.3",
+        "pandas-flavor>=0.2.0",
+        "scikit-learn>=0.22.2.post1",
+        "sphinx>=3.1.2",
+        "tensorboardX>=2.0",
+        "torch>=1.4.0",
+        "tqdm>=4.45.0",
+        "typed-argument-parser>=1.6.1",
+        "rdkit>=2020.03.1.0",
+        "scipy<1.11 ; python_version=='3.7'",
+        "descriptastorus<2.6.1 ; python_version=='3.7'",
+        "scipy>=1.9 ; python_version=='3.8'",
+        "descriptastorus>=2.6.1 ; python_version=='3.8'",
     ],
-    extras_require={
-        'test': [
-            'pytest>=6.2.2',
-            'parameterized>=0.8.1'
-        ]
-    },
-    python_requires='>=3.7',
+    extras_require={"test": ["pytest>=6.2.2", "parameterized>=0.8.1"]},
+    python_requires=">=3.7",
     classifiers=[
-        'Programming Language :: Python :: 3',
-        'Programming Language :: Python :: 3.7',
-        'Programming Language :: Python :: 3.8',
-        'License :: OSI Approved :: MIT License',
-        'Operating System :: OS Independent'
+        "Programming Language :: Python :: 3",
+        "Programming Language :: Python :: 3.7",
+        "Programming Language :: Python :: 3.8",
+        "License :: OSI Approved :: MIT License",
+        "Operating System :: OS Independent",
     ],
     keywords=[
-        'chemistry',
-        'machine learning',
-        'property prediction',
-        'message passing neural network',
-        'graph neural network'
-    ]
+        "chemistry",
+        "machine learning",
+        "property prediction",
+        "message passing neural network",
+        "graph neural network",
+    ],
 )