[Pw_forum] QE plugins system

[Dmitry Korotin]

Dear Layla, it would be perfect, but please don't do it right now.
I'll contact you when I'll be ready to start commiting.

2012/8/13 Layla Martin-Samos <lmartinsamos at gmail.com>:
> Dear Dimitry, maybe you will find more confortable for the porting if we
> create a dedicated branch?
>
>
> let me know
>
> best regards
>
> Layla
>
> 2012/8/13 Dmitry Korotin <dmitry at korotin.name>
>>
>> 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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-- 
С уважением,
Дмитрий Коротин

Best regards,
Dr. Dmitry Korotin

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