[gmx-developers] MDAnalysis' libxdrfile2 vs. GROMACS' xdrfile
rmcgibbo at gmail.com
Fri Oct 16 10:43:47 CEST 2015
On Fri, Oct 16, 2015 at 1:30 AM, David van der Spoel <spoel at xray.bmc.uu.se>
Isn't all of this becoming obsolete due to the tng library?
I think I speak for the developers who are supporting and
maintaining analysis packages that read xtc files in saying that expect to
be maintaining xtx-related code for a good long time to come.
The gromacs-hosted repositories provide the natural place for us to
contribute any bug fixes (the patches I mentioned earlier in the thread) or
improvement (e.g. as mentioned by Dominik) back upstream to the community.
OTOH, I understand if the gromacs core devs are tired of dealing with this
code, since it is a little obsolete now.
>> On Wed, Oct 14, 2015 at 2:51 PM Dominik 'Rathann' Mierzejewski
>> <dominik at greysector.net <mailto:dominik at greysector.net>> wrote:
>> 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
>> > >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
>> other location than
>> 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
>> I mentioned this thread there. Could you guys join efforts to avoid
>> duplication of work?
>> Dominik (still working on packaging MDAnalysis for Fedora)
>> Fedora http://fedoraproject.org/wiki/User:Rathann
>> RPMFusion http://rpmfusion.org
>> "Faith manages."
>> -- Delenn to Lennier in Babylon 5:"Confessions and
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> David van der Spoel, Ph.D., Professor of Biology
> Dept. of Cell & Molec. Biol., Uppsala University.
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