[DFTB-Plus-User] import error in dp_dos

Ben Hourahine benjamin.hourahine at strath.ac.uk
Wed Feb 20 09:51:02 CET 2019


Hello Young,

The dp_dos code requires numpy to be installed correctly for the version
of python that is present on your system.


Depending on how the dp tools were installed, this could be either
python2.x or python3.


You can check by finding the dp_dos and checking its top line, so for
example on my system:


$ which dp_dos

/home/ben/.local/bin/dp_dos


$ head /home/ben/.local/bin/dp_dos


#!/usr/bin/python3
#------------------------------------------------------------------------------#
#  DFTB+: general package for performing fast atomistic
simulations            #
#  Copyright (C) 2018  DFTB+ developers
group                                  #
#                                                                             
#


Regards

Ben


On 20/02/2019 03:42, 전영인 wrote:
>
> Dear Sir,
>
>  
>
> I can run dftb+ without error but when I use precompiled dp_dos, the
> following error appeared.
>
>  
>
> Traceback (most recent call last):
>   File "/home/vasp/dftb+/bin/dp_dos", line 15, in <module>
>     import numpy.polynomial.hermite as  H
> ImportError: No module named hermite
>
>  
>
> I checked that site-packages directory is included in sys.path.
>
> What's wrong with it?
>
>  
>
> Thank you for your answer in advance.
>
>  
>
> Best regards,
>
>   Young
>
>  
>
>  
>
>  
>
>
> Research Professor
>
> Brain Korea 21 Plus, Department of Electrical and Computer Engineering
>
> University of Seoul, Seoul, Korea
>
>
> _______________________________________________
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> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user

-- 
        Dr.  B.  Hourahine,  Senior  lecturer
            SUPA, Department  of  Physics,
             University  of  Strathclyde,
              John  Anderson  Building,
          107 Rottenrow, Glasgow G4 0NG, UK.                    
  +44 141 548 2325, benjamin.hourahine at strath.ac.uk

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