[Q-e-developers] Next QE release

[Michael Banck]

Hi,

On Thu, Oct 23, 2014 at 12:33:57PM +0200, Paolo Giannozzi wrote:
> I have packaged a pre-5.1.1 QE version here:
> http://www.fisica.uniud.it/~giannozz/Public/espresso-5.1.1.tar.gz
> http://www.fisica.uniud.it/~giannozz/Public/atomic-5.1.1.tar.gz
> http://www.fisica.uniud.it/~giannozz/Public/GWW-5.1.1.tar.gz
> http://www.fisica.uniud.it/~giannozz/Public/neb-5.1.1.tar.gz
> http://www.fisica.uniud.it/~giannozz/Public/PHonon-5.1.1.tar.gz
> http://www.fisica.uniud.it/~giannozz/Public/pwcond-5.1.1.tar.gz
> http://www.fisica.uniud.it/~giannozz/Public/PWgui-5.1.1.tar.gz
> http://www.fisica.uniud.it/~giannozz/Public/tddfpt-5.1.1.tar.gz
> http://www.fisica.uniud.it/~giannozz/Public/xspectra-5.1.1.tar.gz
> 
> Please let me know if you notice any problem

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.

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

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?

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.


Michael