[DFTB-Plus-User] gen2xyz

Ben Hourahine benjamin.hourahine at strath.ac.uk
Tue Feb 6 12:09:28 CET 2018


Hello Sarah,

Could you make a local install instead of a system level install?  There
are instructions later in the README about how to do this.

To make a system level install you would need administrator level
permissions to install in /usr/local/bin.

Depending on your operating system and management, this might be
possible by using

sudo python setup.py install

but the local install is probably a better option.

Regards

Ben


On 06/02/18 10:52, Sarah Gamal wrote:
> Dear Ben,
> First of all I would like to thank you for you reply.
>
> When I followed the instructions in README, and I used the command,
>
> python setup.py install
>
> I get the following,
>
> running install
> running build
> running build_py
> running build_scripts
> running install_lib
> running install_scripts
> copying build/scripts-2.7/gen2xyz -> /usr/local/bin
> error: [Errno 13] Permission denied: '/usr/local/bin/gen2xyz'
>
> What is the problem now?
>
> On Tue, Feb 6, 2018 at 1:34 AM, Ben Hourahine
> <benjamin.hourahine at strath.ac.uk
> <mailto:benjamin.hourahine at strath.ac.uk>> wrote:
>
>     Hello Sarah,
>
>     was dptools python module installed on the system? See the file
>
>      tools/dptools/README
>
>     in the source directory for install instructions.
>
>     Regards
>
>     Ben
>
>
>     On 05/02/18 22:24, Sarah Gamal wrote:
>>     Dear,
>>
>>     I have a problem while running "gen2xyz.py", I get the following
>>     error,
>>
>>     Traceback (most recent call last):
>>       File "./gentoxyz.py", line 10, in <module>
>>         from dptools.gen import Gen
>>     ImportError: No module named dptools.gen
>>
>>     Anyone can help?
>>
>>
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>
>     -- 
>           Dr. B. Hourahine, 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
>     <mailto:benjamin.hourahine at strath.ac.uk>
>
>     2013/4 THE Awards Entrepreneurial University of the Year
>           2012/13 THE Awards UK University of the Year
>
>        The University of Strathclyde is a charitable body,
>             registered in Scotland, number SC015263
>
>
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-- 
      Dr. B. Hourahine, 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

2013/4 THE Awards Entrepreneurial University of the Year
      2012/13 THE Awards UK University of the Year

   The University of Strathclyde is a charitable body,
        registered in Scotland, number SC015263

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