[ase-users] problems with installation

[Jens Jørgen Mortensen]

On 07/27/2017 01:05 AM, trey via ase-users wrote:
>
> 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!
>

Looks like you have a very old version of ASE on your system in /usr 
(3.10) and you are using that instead of the new one from pip.

Did you follow the procedure here:

https://wiki.fysik.dtu.dk/ase/install.html#installation-using-pip

and put ~/.local/bin in your $PATH?

Jens Jørgen

> 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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