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 >> >> _______________________________________________ >> >> 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 > > > > _______________________________________________ > 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