[DFTB-Plus-User] How to install dptools

[Bhatt, Mahesh]

Hi,
We don't have python 2.7, but we have python 2.6. I followed your guidence and tried to install, but I got the following error message:

msslax at inchcape:/storage/csc/msslax/dftbplus/dptools-0.1p3> python setup.py install
running install
running build
running build_py
running build_scripts
running install_lib
creating /usr/local/lib64/python2.6
error: could not create '/usr/local/lib64/python2.6': Permission denied

How can I overcome this error. Please let me give some hints.
Mahesh Bhatt
University of Warwick
________________________________________
From: dftb-plus-user-bounces at dftb-plus.info [dftb-plus-user-bounces at dftb-plus.info] on behalf of Bálint Aradi [balint.aradi at bccms.uni-bremen.de]
Sent: Tuesday, November 06, 2012 7:02 AM
To: User list for DFTB+ related questions
Subject: Re: [DFTB-Plus-User] How to install dptools

On 11/05/2012 08:04 PM, Bhatt, Mahesh wrote:
> 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

 X.Y stays for your actual Python version! So, if you have Python 2.7,
for example, PYTHONPATH must be

export
PYTHONPATH=$PYTHONPATH:YOURHOMEDIRECTORY/dptools/lib/python2.7/site-packages.

 And YOURHOMEDIRECTORY is the path to your home directory, like
/home/aradi on my computer for myself.

 In doubt, please contact your system administrator, who would
definitely know the fine details.

  Best regards,

  Bálint

--
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/