| Detailed description |
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OpenMM no longer reads correctly ANY cif file under python3.7.
It reports an error:
"RuntimeError: generator raised StopIteration"
A temporary workaround is to create another conda environment with python3.6.
The error is connected with a change in the behaviour of the
StopIteration in generators starting from python3.7
https://www.python.org/dev/peps/pep-0479/
https://docs.python.org/3/whatsnew/3.7.html
I have tested that with to freshly installed operating systems, kubuntu16.04 and centos7.6 (64bit) and three CUDA versions, 9.1, 9.2 and 10.0 with the newest available OpenMM 7.3.1
# THIS FILE IS GENERATED FROM OPENMM SETUP.PY
short_version = '7.3.1'
version = '7.3.1'
full_version = '7.3.1.dev-4a269c0'
git_revision = '4a269c0d64f995c00b9a6949e5c7839c536c1837'
release = False
openmm_library_path = r'/home/pawel/miniconda3/envs/p36/lib'
if not release:
version = full_version
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