Feat/versioning (#247)

* starting to move versioning over

* removing old versioning scheme

* add version tag to __init__.py

* add version back to setup.py

* adding bumpversion config

* fix bumpversion config

* test bumpversion

* test again

* test one more time

* test bump version

* Update __init__.py

.bumpversion.cfg

@@ -0,0 +1,12 @@
+[bumpversion]
+current_version = 1.4.1
+commit = True
+tag = True
+
+[bumpversion:file:setup.cfg]
+
+[bumpversion:file:setup.py]
+
+[bumpversion:file:chemprop/__init__.py]
+
+[bumpversion:file:docs/source/conf.py]

chemprop/__init__.py

@@ -16,4 +16,6 @@
 import chemprop.spectra_utils
 import chemprop.hyperopt_utils
 
-from chemprop._version import __version__
+# from chemprop._version import __version__
+
+__version__ = "1.4.1"

setup.cfg

@@ -1,2 +1,3 @@
 [metadata]
 description-file = README.md
+version = 1.4.1

setup.py

@@ -1,23 +1,13 @@
-import os
 from setuptools import find_packages, setup
 
-# Load version number
-__version__ = None
-
-src_dir = os.path.abspath(os.path.dirname(__file__))
-version_file = os.path.join(src_dir, 'chemprop', '_version.py')
-
-with open(version_file, encoding='utf-8') as fd:
-    exec(fd.read())
+__version__ = "1.4.1"
 
 # Load README
 with open('README.md', encoding='utf-8') as f:
     long_description = f.read()
 
-
 setup(
     name='chemprop',
-    version=__version__,
     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',