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 > >> _______________________________________________ > >> Pw_forum mailing list > >> Pw_forum at pwscf.org > >> http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > > > _______________________________________________ > > Pw_forum mailing list > > Pw_forum at pwscf.org > > http://www.democritos.it/mailman/listinfo/pw_forum > > > > > > -- > Best regards, > Dr. Dmitry Korotin > > Institute of Metal Physics > S. Kovalevskaya, 18 > 620990 Yekaterinburg > Russia > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120813/e7de9b31/attachment.htm