[ase-users] problems with installation

ebruffey at hawaii.edu ebruffey at hawaii.edu
Thu Jul 27 01:05:41 CEST 2017


Hi all,

So I am running bash on Ubuntu on windows 10 and I used pip install to install ase. I also set my environment variable using

 export PYTHONPATH=usr/bin/ase:$PYTHONPATH

 I am unsure of how to find the path to the ase command line tools. Also I used ase test and it throws this error. I tried to email the email given but it doesn’t seem to exist. I have only been programming since January of this year so any help would be greatly appreciated!

An exception occurred!  Please report the issue to
ase-developer at listserv.fysik.dtu.dk - thanks!  Please also report this
if it was a user error, so that a better error message can be provided
next time.Traceback (most recent call last):
  File "/usr/bin/ase", line 5, in <module>
    main()
  File "/usr/lib/python2.7/dist-packages/ase/tasks/main.py", line 87, in main
    run()
  File "/usr/lib/python2.7/dist-packages/ase/tasks/main.py", line 80, in run
    atoms = task.run(args)
  File "/usr/lib/python2.7/dist-packages/ase/tasks/molecule.py", line 63, in run
    return OptimizeTask.run(self, names)
  File "/usr/lib/python2.7/dist-packages/ase/tasks/task.py", line 134, in run
    names = self.exclude(names)
  File "/usr/lib/python2.7/dist-packages/ase/tasks/task.py", line 115, in exclude
    atoms = self.create_system(name)
  File "/usr/lib/python2.7/dist-packages/ase/tasks/task.py", line 204, in create_system
    system = self.build_system(name)
  File "/usr/lib/python2.7/dist-packages/ase/tasks/molecule.py", line 72, in build_system
    symbols = string2symbols(name)
  File "/usr/lib/python2.7/dist-packages/ase/atoms.py", line 1431, in string2symbols
    raise ValueError
ValueError
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