General improvements to provide pip package

- optim/ is now module. - Added __version__ variable to set version number. - setup.py is importing __version__ to set version.
muammar · Jul 31, 2019 · 52bd471 · 52bd471
1 parent 0a2a7e0
commit 52bd471
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Showing 3 changed files with 5 additions and 1 deletion.
diff --git a/ml4chem/__init__.py b/ml4chem/__init__.py
@@ -2,3 +2,4 @@
 
 
 __all__ = ["Potentials"]
+__version__ = "0.0.1"
diff --git a/ml4chem/optim/__init__.py b/ml4chem/optim/__init__.py
diff --git a/setup.py b/setup.py
@@ -1,4 +1,5 @@
 import setuptools
+import ml4chem
 
 try:
     with open("README.md", "r") as fh:
@@ -11,9 +12,11 @@
         long_description = fh.read()
 
 
+version = ml4chem.__version__
+
 setuptools.setup(
     name="ml4chem",
-    version="0.0.0",
+    version=version,
     author="Muammar El Khatib",
     author_email="muammarelkhatib@gmail.com",
     description="Machine learning for chemistry",