[CP2K:4458] CP2K - new version release - 2.4

Dominik 'Rathann' Mierzejewski rat... at gmail.com
Wed Jun 19 22:22:57 CEST 2013


Hello,

On Saturday, 15 June 2013 at 17:09, Michael Banck wrote:
> Hi,
> 
> On Fri, Jun 14, 2013 at 10:07:23PM +0200, Teodoro Laino wrote:
> > the new CP2K version 2.4 (June 13, 2013) is released.
> 
> Congrats!

Seconded, it's nice to see another point release.

> > The new version includes a series of bug fixes and the following new
> > functionalities:
> 
> Fantastic, I think a high-level overview of the new features is
> really great, and I would suggest to also add it to the source tree in a
> NEWS file or (possibly versioned) release notes for future reference.

Indeed, this is a very welcome announcement detail and I encourage
the developers to continue to post such high-level changelogs in the
future.

[...]
> 
> > ELPA eigensolver support
> 
> This one is a bit unfortunate, as likely lots of people will have the
> opinion that the ELPA license as explained in
> src/elpa_lib/COPYING/COPYING is not compatible to the CP2K license due
> to additional restrictions, rendering a built binary undistributable
> (others believe that the additional restrictions can be ignored)
> 
> The ELPA developers have switched to a vanilla LGPLv3 license in their
> (non public) git repository, but I am not sure how this can be related
> to the CP2K fork of ELPA.  Still, I am attaching the diff for your
> consideration (they also added copyright/license boilerplate to all
> source files).

By the way, would it be possible to add an option to link against external
ELPA library. Bundling libraries is prohibited in Fedora.

One more thing: could you add a licence header to all source files?
Some of the files have statements suggesting they're not licenced under
the GPLv2+.

These files:

src/fft_lib/ctrig.F
src/fft_lib/fftpre.F
src/fft_lib/ffttrot.F
src/fft_lib/fftstp.F

have this statement:

! Commercial use is prohibited
! without the explicit permission of the author.

Actually, the contain only a copyright statement and no explicit
permission to distribute (modified) versions of the file. I'd say
this makes cp2k non-free, so please change those statements to state
they're covered by GPLv2+ and preferably add a licence header to each
source file to avoid any doubts.

Regards,
Dominik Mierzejewski

-- 
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