[DFTB-Plus-User] How to install dptools

Bhatt, Mahesh M.D.Bhatt at warwick.ac.uk
Mon Nov 5 20:04:05 CET 2012


hello,
I have TiO2_pdos and I tried to plot this as follows:
msslax at inchcape:/storage/csc/msslax/dftbplus/mio-1-1/TiO2> ls
band.out    charges.bin   dftb_in.hsd   dos_o.1.out  dos_ti.1.out  dos_ti.3.out  dp_dos          h2.pbs.o394623
bandout.py  detailed.out  dftb_pin.hsd  dos_o.2.out  dos_ti.2.out  dp_bands      h2.pbs.e394623
msslax at inchcape:/storage/csc/msslax/dftbplus/mio-1-1/TiO2> dp_dos band.out dos_total.dat
Traceback (most recent call last):
  File "./dp_dos", line 9, in <module>
    from dptools.bandout import BandOut
ImportError: No module named dptools.bandout

When I tried to install dptools, I did according to instructions in README file. I found the following instructions:
 python setup.py
 python setup.py --prefix /home/user/dptools
 export PATH=$PATH:/home/user/dptools/bin
  export PYTHONPATH=$PYTHONPATH:/home/user/dptools/lib/pythonX.Y/site-packages
Actually I don't understand these lines meaning, one of my lab member also tried to follow these instructions, but he could not install it.
Please let me give hint how can I install it in simple steps with full details.
Mahesh
________________________________
From: dftb-plus-user-bounces at dftb-plus.info [dftb-plus-user-bounces at dftb-plus.info] on behalf of Riccardo Petraglia [riccardo.petraglia at epfl.ch]
Sent: Monday, November 05, 2012 5:46 PM
To: User list for DFTB+ related questions
Subject: Re: [DFTB-Plus-User] How to install dptools

Hello,

Could you provide some more information? Where the procedure fails?

Riccardo

On 11/05/2012 06:27 PM, Bhatt, Mahesh wrote:
Hi,

I tried to install dptools 0.1p3 in dftb+_1.2.1 version, but I can't do anyway following the installation instructions in README file. Could any body give me some hints how can I do it? As I am beginner of DFTB+ and linux also, so plz let me tell in simple steps.
I could not understand anything given in README file.

Mahesh Bhatt
University of Warwick


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