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choderalab / openmoltools

An open set of tools for automating tasks relating to small molecules
MIT License
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Incorrect checking of ParmEd version #273

Closed jchodera closed 4 years ago

jchodera commented 6 years ago

Importing forcefield_generators causes a RuntimeError that ParmEd needs to be updated even when the latest ParmEd (master) is installed:

>>> from openmoltools import forcefield_generators
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
  File "/Users/choderaj/miniconda/lib/python3.6/site-packages/openmoltools-0.9.0.dev0-py3.6.egg/openmoltools/__init__.py", line 26, in <module>
    from openmoltools import amber_parser, system_checker, utils, packmol, openeye, amber, cirpy, gromacs, schrodinger
  File "/Users/choderaj/miniconda/lib/python3.6/site-packages/openmoltools-0.9.0.dev0-py3.6.egg/openmoltools/gromacs.py", line 14, in <module>
    raise RuntimeError("ParmEd is too old, please upgrade to 2.0.4 or later")
RuntimeError: ParmEd is too old, please upgrade to 2.0.4 or later