[Pw_forum] QE plugins system

Dmitry Korotin dmitry at korotin.name
Mon Aug 13 10:08:37 CEST 2012


Dear Layla,
thank you for the answer.
I looks like I have the third or fourth situation and I will skype you
to consult.
Now my code (LDA+U in Wannier functions basis) is based on QE 4.3
branch and I am looking for an ideal way to transfer it to 5.0
codebase.

2012/8/8 Layla Martin-Samos <lmartinsamos at gmail.com>:
> Dear Dimitry, the "QE plugin system" is at the moment more something like an
> "automatic download, untar and compile" procedure, a part for the case of
> PLUMED and the future release of QMMM. We call "plugin" anything which is
> not related to "core routines" and is installed by some automatic procedure.
> There are different kinds of "plugins" inside QE at the moment:
>
> 1) like W90, WANT and YAMBO --> postprocessing-like codes, that are
> completely PW/PH routine independent. They just read some output. For making
> such kind of plugin, we just need an URL with the .tar.gz release and we
> will add the necessary lines to the Makefiles in order to have an automatic
> installation. If you have write access to QE repository, you can follow what
> has been already done in install/plugins_list and install/plugins_makefile.
>
> 2) Like NEB, TDDFPT ...--> codes that call some PW/PH routines as they are
> (without the need of patching lines ...). Same as in the 1) case.
>
> 3) Like PLUMED --> some routines of PW/PH need to be patched. In this case,
> we construct "empty routines" (like plugin_forces.f90 or
> plugin_initialization.f90). If you are in this case, we can have a skype
> meeting to understand the best way for including your work.
>
> 4) something else ---> as in 3) we can have a skype meeting.
>
> let me know
>
> best regards
>
> Layla
>
> 2012/8/8 Dmitry Korotin <dmitry at korotin.name>
>>
>> Dear QE Developers,
>> is there some guide or instruction or specification of new QE plugins
>> system?
>> The idea of plugins is brilliant! I want to transform my code into
>> plugin but need some info about how it is organized.
>>
>> (Of course I can check existing plugins and do a similar thing but it
>> is inconvenient way).
>>
>> Thank you in advance.
>> --
>>
>> Best regards,
>> Dr. Dmitry Korotin
>>
>> Institute of Metal Physics
>> S. Kovalevskaya, 18
>> 620990 Yekaterinburg
>> Russia
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>
>
>
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-- 
Best regards,
Dr. Dmitry Korotin

Institute of Metal Physics
S. Kovalevskaya, 18
620990 Yekaterinburg
Russia



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