diff --git a/alignn/__init__.py b/alignn/__init__.py index ed67e2c1..e8c5f63f 100644 --- a/alignn/__init__.py +++ b/alignn/__init__.py @@ -1,2 +1,2 @@ """Version number.""" -__version__ = "2023.01.09" +__version__ = "2023.01.10" diff --git a/setup.py b/setup.py index 65a467b7..b2f0443c 100644 --- a/setup.py +++ b/setup.py @@ -10,7 +10,7 @@ setuptools.setup( name="alignn", - version="2023.01.09", + version="2023.01.10", author="Kamal Choudhary, Brian DeCost", author_email="kamal.choudhary@nist.gov", description="alignn", @@ -33,7 +33,7 @@ "ase", # "dgl-cu101>=0.6.0", ], - # scripts=["alignn/alignn_train_folder.py"], + package_data={"alignn.ff": ["best_model.pt", "config.json"]}, scripts=[ "alignn/pretrained.py", "alignn/train_folder.py",