[Q-e-developers] Final QE v6.0 packaging

[Filippo SPIGA]

Dear all,

tomorrow evenng I will tag v6.0 and then create the final packages. There is always work to do, there are always last minute fixes but the majority of the work is done thanks to all the developers and contributors!

QE v6.0 is a milestone for multiple reasons:
- the presence of common "specialized libraries" used by many packages: "FFTXlib", "LAXlib" and "LR_modules"
- initial support of HDF5 (not perfect but it is there, first step done!)
- the presence of a well-defined XML schema and initial support of input/output in XML format (not perfect but it is there, first step done!)

The packaging procedure is changing as well, as it has been anticipated in this mailing-list. Below the lisf ot the packages that will appear on QE-FORGE:
- "qe-6.0.tar.gz" contains the following:
- "examples-6.0.tar.gz" will contain all the examples grouped in one single place
- "test-suite-6.0.tar.gz" will contain all the tests for validation purposes

plus other third-parties packages that QE will be able to download and compile automatically (GIPAW, YAMBO, West, Wannier90, WanT).


For the examples, we will collect all of them into a single tar.gz *but* in the SVN we will keep the current structure. Now the directory structure is going to bethis:
{COUPLE,CPV,EPW,GWW,NEB,PHonon,PP,PWCOND,QHA,TDDFPT,XSpectra,PWgui}/examples

"examples-6.0.tar.gz" will contain the a folder with all the various examples separated by packages, more or less like this:
Examples/{COUPLE,CPV,EPW,GWW,NEB,PHonon,PlotPhon,PP,PWCOND,QHA,TDDFPT,XSpectra,PWgui}


A separate "examples-6.0.tar.gz" package will achieve two things: 1) a light "qe-6.0.tar.gz" package that contains only source code and documentation (~32 MByte); 2) the ability to track via QE-FORGE how many people are looking at the examples explicitly. 

So, in summary, QE v6.0 is happening. Starting from next week we will start gathering requirements and ideas to define the roadmap toward QE v7!


Stay tuned!

Cheers

--
Filippo SPIGA ~ Quantum ESPRESSO Foundation ~ http://www.quantum-espresso.org

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