[DFTB-Plus-User] about tools in compiled executables

Bálint Aradi aradi at uni-bremen.de
Thu Jul 18 12:10:10 CEST 2019

Dear Gergely,

You must set up your PYTHONPATH environment variable to contain the
parent folder of dptools, e.g.

export PYTHONPATH="/home/username/.../dftbplus-19.1/lib"

After that, the dptools based tools should be able to find the necessary

Best regards,


On 18.07.19 05:01, juhasz.g.aa wrote:
> Dear all,
> I have downloaded the compiled executable tar pack, which contains not only the dftb+ software, but also other tools, too. All I done was extracting these files, but I wonder if I need to set some environmental variables?
> Most work progam works without problem, but pl xyz2gen gives an error message about dptool library: 
> ./xyz2gen
> Traceback (most recent call last):
>   File "./xyz2gen", line 14, in <module>
>     from dptools.gen import Gen
> ImportError: No module named dptools.gen
> What should I set up so the python modules in lib/dptools can be found?
> Thank you for your advice in forward.
> Best regards,
> Gergely Juhasz
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Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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