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Updated the error message if pymbar is not installed
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Christopher Woods authored and Christopher Woods committed Feb 1, 2022
1 parent a44995d commit a5fd825
Showing 1 changed file with 7 additions and 7 deletions.
14 changes: 7 additions & 7 deletions wrapper/Tools/FreeEnergyAnalysis.py
Original file line number Diff line number Diff line change
Expand Up @@ -20,15 +20,15 @@
except ImportError:
raise ImportError('Numpy is not installed. Please install numpy in order to use MBAR for your free energy analysis.')


import platform

# pymbar is currently unavailable on aarch64.
if platform.machine() != "aarch64":
try:
from pymbar import MBAR
from pymbar import timeseries
else:
raise ImportError("'pymbar' is currently unavailable on the 'aarch64' platform. Unable to use 'analyse_freenrg'")
except ImportError:
import platform
if platform.machine() in ["aarch64", "arm64"]:
print("'pymbar' is not available on the 'aarch64' or 'arm64' platforms")

raise ImportError("'pymbar' is not installed. Please install pymbar in order to use MBAR for your free energy analysis.`")

import warnings

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