changes for python 36 (#23)

* changes for python 36

* Update mol_preprocessor.py

Author: pstjohn

.github/workflows/run_tests_and_deploy.yml

@@ -23,7 +23,7 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: [ 3.7, 3.8, 3.9 ]
+        python-version: [ 3.6, 3.7, 3.8, 3.9 ]
 
     steps:
       -

nfp/preprocessing/mol_preprocessor.py

@@ -1,5 +1,3 @@
-from __future__ import annotations
-
 from typing import Callable, Dict, Hashable, Optional
 
 import networkx as nx

nfp/preprocessing/xtb_preprocessor.py

@@ -1,5 +1,3 @@
-from __future__ import annotations
-
 import json
 from typing import TYPE_CHECKING, Dict, List, Optional
 
@@ -67,7 +65,7 @@ def __init__(
             self.xtb_mol_features = xtb_mol_features
 
     def create_nx_graph(
-        self, mol: rdkit.Chem.Mol, jsonfile: str, **kwargs
+        self, mol: "rdkit.Chem.Mol", jsonfile: str, **kwargs
     ) -> nx.DiGraph:
 
         with open(jsonfile, "r") as f:

setup.py

@@ -8,44 +8,37 @@
 here = path.abspath(path.dirname(__file__))
 
 # Get the long description from the README file
-with open(path.join(here, 'README.md'), encoding='utf-8') as f:
+with open(path.join(here, "README.md"), encoding="utf-8") as f:
     long_description = f.read()
 
 # Arguments marked as "Required" below must be included for upload to PyPI.
 # Fields marked as "Optional" may be commented out.
 setup(
-    name='nfp',
+    name="nfp",
     version=versioneer.get_version(),
     cmdclass=versioneer.get_cmdclass(),
-    description='Keras layers for machine learning on graph structures',
+    description="Keras layers for machine learning on graph structures",
     long_description=long_description,
-    long_description_content_type='text/markdown',
-    url='https://github.com/NREL/nfp',  # Optional
-    author='Peter St. John',
-    author_email='[email protected]',  # Optional
+    long_description_content_type="text/markdown",
+    url="https://github.com/NREL/nfp",  # Optional
+    author="Peter St. John",
+    author_email="[email protected]",  # Optional
     classifiers=[
-        'Development Status :: 3 - Alpha',
-
+        "Development Status :: 3 - Alpha",
         # Indicate who your project is intended for
-        'Intended Audience :: Developers',
-
+        "Intended Audience :: Developers",
         # Pick your license as you wish
-        'License :: OSI Approved :: MIT License',
-
+        "License :: OSI Approved :: MIT License",
         # Specify the Python versions you support here. In particular, ensure
         # that you indicate whether you support Python 2, Python 3 or both.
-        'Programming Language :: Python :: 3',
-        'Programming Language :: Python :: 3.4',
-        'Programming Language :: Python :: 3.5',
-        'Programming Language :: Python :: 3.6',
-        'Programming Language :: Python :: 3.7',
-        'Programming Language :: Python :: 3.8',
-        'Programming Language :: Python :: 3.9',
+        "Programming Language :: Python :: 3",
+        "Programming Language :: Python :: 3.6",
+        "Programming Language :: Python :: 3.7",
+        "Programming Language :: Python :: 3.8",
+        "Programming Language :: Python :: 3.9",
     ],
-
-    packages=find_packages(exclude=['docs', 'tests']),  # Required
-
+    packages=find_packages(exclude=["docs", "tests"]),  # Required
     project_urls={
-        'Source': 'https://github.com/NREL/nfp',
+        "Source": "https://github.com/NREL/nfp",
     },
 )