[gmx-developers] MDAnalysis' libxdrfile2 vs. GROMACS' xdrfile

Dominik 'Rathann' Mierzejewski dominik at greysector.net
Wed Oct 14 14:50:52 CEST 2015


On Tuesday, 12 May 2015 at 10:19, David van der Spoel wrote:
> On 2015-05-12 08:27, Roland Schulz wrote:
> >Should we add xdrfile to gerrit so that we can easily accepts patches
> >our standard way?
> Would be great if it is not too much work...

Sorry to revive an old thread, but it looks like there was no
conclusion. Where is the source code for xdrfile located? I can find no
other location than
http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library
which links to ftp://ftp.gromacs.org/pub/contrib/xdrfile-1.1.4.tar.gz

In the meantime, there is ongoing work to rewrite xdrfile by MDAnalysis:
https://github.com/MDAnalysis/mdanalysis/issues/419

I mentioned this thread there. Could you guys join efforts to avoid
duplication of work?

Regards,
Dominik (still working on packaging MDAnalysis for Fedora)
-- 
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"Faith manages."
        -- Delenn to Lennier in Babylon 5:"Confessions and Lamentations"


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