Merge pull request #79 from martimunicoy/missing_module_fix

Fix missing modules in conda installation

docs/releasehistory.rst

@@ -24,6 +24,7 @@ New features
 Bugfixes
 """"""""
 - `PR #74 <https://github.com/martimunicoy/offpele/pull/74>`_: Corrects wrong assignment of PDB atom names when using the OPLS2005 force field.
+- `PR #79 <https://github.com/martimunicoy/offpele/pull/79>`_: Corrects error with missing modules in the Conda installation.
 
 Tests added
 """""""""""

offpele/tests/test_integrity.py

@@ -0,0 +1,24 @@
+"""
+This module contains integrity tests that check that all offpele's modules
+are available.
+"""
+
+import pytest
+
+
+class TestIntegrity(object):
+    """Integrity test."""
+
+    def test_modules(self):
+        try:
+            import offpele
+            from offpele import charge
+            from offpele import forcefield
+            from offpele import solvent
+            from offpele import template
+            from offpele import topology
+            from offpele import utils
+
+        except ImportError as e:
+            raise AssertionError('The following offpele module is missing: '
+                                 + str(e))

setup.py

@@ -33,6 +33,7 @@ def find_package_data(data_root, package_root):
         'offpele/topology',
         'offpele/forcefield',
         'offpele/utils',
+        'offpele/charge',
     ],
     long_description=read('README.md'),
     classifiers=[