[gmx-developers] MDAnalysis' libxdrfile2 vs. GROMACS' xdrfile
rmcgibbo at gmail.com
Fri Oct 16 10:44:45 CEST 2015
Apologies for the typo: "in saying that expect" -> "in saying that *we*
On Fri, Oct 16, 2015 at 1:43 AM, Robert McGibbon <rmcgibbo at gmail.com> wrote:
> On Fri, Oct 16, 2015 at 1:30 AM, David van der Spoel <spoel at xray.bmc.uu.se
> > wrote:
> 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
>>> 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.
>> Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
>> spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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