[Pw_forum] QE plugins system

[Layla Martin-Samos]

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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