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Goodman-lab / DP5

Python workflow for DP5 and DP4 analysis of organic molecules
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qml module not found #52

Closed Alexander-Qi closed 2 years ago

Alexander-Qi commented 3 years ago

Hi, I was running DP5 on WSL-Ubuntu 20.04 LTS. When I tried to launch PyDP4.py, the following error occurred.

./PyDP4.py <...> <...>

Output:

Traceback (most recent call last):
  File "./PyDP4.py", line 39, in <module>
    import Tinker
  File "/home/eugene/workspace/dp5inst/DP5-master/Tinker.py", line 16, in <module>
    import PyDP4
  File "/home/eugene/workspace/dp5inst/DP5-master/PyDP4.py", line 41, in <module>
    import DP5 as DP5
  File "/home/eugene/workspace/dp5inst/DP5-master/DP5.py", line 2, in <module>
    import qml
ModuleNotFoundError: No module named 'qml'

How should I fix this problem?

ZnS-Eu commented 3 years ago

I have met the same problem before. If you are running it on Ubuntu, maybe you can solve it by installing qml directly. http://www.qmlcode.org/installation.html#installing-via-with-intel-compilers This website tells you how to do it.