Updated version handling

ambuild/ab_cell.py

@@ -3,7 +3,6 @@
 
 @author: abbietrewin
 """
-VERSION = "1.0.0"
 import collections
 import copy
 import logging
@@ -26,6 +25,7 @@
 from ambuild import ab_fragment
 from ambuild import ab_subunit
 from ambuild import ab_util
+from ambuild.version import __version__
 from ambuild import xyz_core
 from ambuild import xyz_util
 
@@ -128,8 +128,8 @@ def __init__(
         self.paramsDir = paramsDir
         # Use the parameters to set the bond lengts in the util module
         xyz_util.setModuleBondLength(os.path.join(paramsDir, "bond_params.csv"))
-        self.version = VERSION  # Save as attribute so we can query pickle files
-        logger.info("AMBUILD version: {0}".format(VERSION))
+        self.version = __version__  # Save as attribute so we can query pickle files
+        logger.info("AMBUILD version: {0}".format(self.version))
         self.setMdEngineCls(ab_util.HOOMDVERSION)
         if filePath:
             self.setStaticBlock(filePath)

ambuild/version.py

@@ -0,0 +1,2 @@
+__version_info__ = (1, 0, 0)
+__version__ = ".".join(map(str, __version_info__))

setup.py

@@ -1,11 +1,12 @@
 import setuptools
+from ambuild.version import __version__
 
 with open("README.md", "r") as fh:
     long_description = fh.read()
 
 setuptools.setup(
     name="ambuild",
-    version="1.0.0",
+    version=__version__,
     author="Jens Thomas",
     author_email="[email protected]",
     description="A program for creating polymeric molecular structures.",