[Q-e-developers] Next QE release

Paolo Giannozzi paolo.giannozzi at uniud.it
Sun Oct 26 21:44:42 CET 2014


On Sun, 2014-10-26 at 17:42 +0100, Michael Banck wrote:

> 1. The release notes mention "TB09 meta-GGA functional (requires
> libxc)", but I couldn't find any documentation whatsoever on how 
> libxc is supposed to be integrated/compiled in?  I think this 
> should be documented somewhere, e.g. in the Installation section 
> of the user manual.

support for libxc is something I prefer not to announce yet. I have
removed the line about TB09.

> 2. The copyright violations in TDDFPT/ColorCalculator have not been
> fixed it seems.

you mean: the presence of the two binaries colorCalculator4.jar and
ColorCalculator5.jar? Removed, there are instructions on how to compile
them.

> 3. The PWgui tarball is the only one which extracts with a version
> number (PWgui-5.1.1), which breaks Debian's multi-tarball handling.
> I am still not sure whether it is supposed to be used from inside 
> the espresso top-level directory like the others or not?

see Tone's answer. Actually the PWgui package contains updated
documentation but not an updated interface, so it is not really
ready.

> Apart from that, I did not find any issues.  As the Debian release
> freeze is pending in the next days, I'd like to upload this ASAP to get
> the bug fixes in, so let me know if the tarballs will get changed before
> release.

I just updated espresso-5.1.1.tar.gz and tddfpt-5.1.1.tar.gz. I'll let
you know if there are further corrections. Thank you

Paolo


> 
> Michael
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