Fix version reference
@@ -385,7 +385,7 @@ class MultiStateReporter(object):
If the dataset has been initialized before, nothing happens. Return True
if the file has been initialized before and False otherwise.
"""
- from openmmtools import versions
+ from openmmtools import __version__
if 'scalar' not in ncfile.dimensions:
# Create common dimensions.
@@ -396,7 +396,7 @@ class MultiStateReporter(object):
# Set global attributes.
ncfile.application = 'YANK'
ncfile.program = 'yank.py'
- ncfile.programVersion = versions['version']
+ ncfile.programVersion = __version__
ncfile.Conventions = convention
ncfile.ConventionVersion = '0.2'
ncfile.DataUsedFor = nc_name
