version: bump, add to setup, and access in python

msibi/__init__.py

@@ -2,8 +2,10 @@
 from msibi.pair import Pair
 from msibi.potentials import *
 from msibi.state import State
+from msibi.__version__ import __version__
 
 __all__ = [
+    "__version__",
     "MSIBI",
     "Pair",
     "State",

msibi/__version__.py

@@ -0,0 +1 @@
+__version__ = "0.2.0"

setup.py

@@ -3,6 +3,7 @@
 
 """
 
+import os
 from setuptools import setup
 from setuptools.command.test import test as TestCommand
 import sys
@@ -18,6 +19,12 @@
 
 requirements = ["numpy", "six", "networkx"]
 
+NAME = "msibi"
+# Load the package's __version__.py module as a dictionary.
+here = os.path.abspath(os.path.dirname(__file__))
+about = {}
+with open(os.path.join(here, NAME, "__version__.py")) as f:
+    exec(f.read(), about)
 
 class PyTest(TestCommand):
     def finalize_options(self):
@@ -33,12 +40,17 @@ def run_tests(self):
 
 
 setup(
-    name="msibi",
-    version="0.1",
-    description="",
-    url="http://github.com/mosdef-hub/misibi",
+    name=NAME,
+    version=about["__version__"],
+    description=(
+        "A package for optimizing coarse-grained force fields using " +
+        "multistate iterative Boltzmann inversion."
+        ),
+    url="http://github.com/cmelab/msibi",
     author="Christoph Klein, Timothy C. Moore",
-    author_email="[email protected], [email protected]",
+    author_email=(
+        "[email protected], [email protected]"
+        ),
     license="MIT",
     packages=["msibi"],
     install_requires=requirements,