[DFTB-Plus-User] gen2xyz

[Sarah Gamal]

Dear Ben,

It worked well, thank you for you help.

Now when I am trying to run DFTB+, I get the error

dftb+: command not found

And I am in the directory contains the dftb_in.hsd file.

On Tue, Feb 6, 2018 at 1:09 PM, Ben Hourahine <
benjamin.hourahine at strath.ac.uk> wrote:

> 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> 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?
>>
>>
>> _______________________________________________
>> DFTB-Plus-User mailing listDFTB-Plus-User at mailman.zfn.uni-bremen.dehttps://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>>
>>
>> --
>>       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
>>
>>
>> _______________________________________________
>> DFTB-Plus-User mailing list
>> DFTB-Plus-User at mailman.zfn.uni-bremen.de
>> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>>
>
>
>
> _______________________________________________
> DFTB-Plus-User mailing listDFTB-Plus-User at mailman.zfn.uni-bremen.dehttps://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>
>
> --
>       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
>
>
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
>
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