Automatic versioning (#152)

docs/conf.py

@@ -5,8 +5,8 @@ project = 'TorchANI'
 copyright = '2018, Roitberg Group'
 author = 'Xiang Gao'
 
-version = '0.1'
-release = '0.1alpha'
+version = torchani.__version__
+release = torchani.__version__
 
 extensions = [
     'sphinx.ext.autodoc',

setup.py

@@ -2,7 +2,6 @@ from setuptools import setup, find_packages
 
 setup_attrs = {
     'name': 'torchani',
-    'version': '0.1',
     'description': 'PyTorch implementation of ANI',
     'url': 'https://github.com/zasdfgbnm/torchani',
     'author': 'Xiang Gao',
@@ -10,6 +9,8 @@ setup_attrs = {
     'license': 'MIT',
     'packages': find_packages(),
     'include_package_data': True,
+    'use_scm_version': True,
+    'setup_requires': ['setuptools_scm'],
     'install_requires': [
         'torch-nightly',
         'pytorch-ignite-nightly',

torchani/__init__.py

@@ -31,6 +31,13 @@ from . import ignite
 from . import utils
 from . import neurochem
 from . import data
+from pkg_resources import get_distribution, DistributionNotFound
+
+try:
+    __version__ = get_distribution(__name__).version
+except DistributionNotFound:
+    # package is not installed
+    pass
 
 __all__ = ['AEVComputer', 'EnergyShifter', 'ANIModel', 'Ensemble',
            'ignite', 'utils', 'neurochem', 'data']