<div dir="ltr"><div>Apologies for the typo: "<span style="font-size:12.8px">in saying that expect" -> "in saying that *we* expect"</span><br></div><div><span style="font-size:12.8px"><br></span></div><div><span style="font-size:12.8px">-Robert</span></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Fri, Oct 16, 2015 at 1:43 AM, Robert McGibbon <span dir="ltr"><<a href="mailto:rmcgibbo@gmail.com" target="_blank">rmcgibbo@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr"><div>Hi,</div><div><br></div><div class="gmail_extra"><span class=""><div class="gmail_quote">On Fri, Oct 16, 2015 at 1:30 AM, David van der Spoel <span dir="ltr"><<a href="mailto:spoel@xray.bmc.uu.se" target="_blank">spoel@xray.bmc.uu.se</a>></span> wrote:</div></span><div class="gmail_quote"><span class=""><br><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
Isn't all of this becoming obsolete due to the tng library?<br>
<br></blockquote><div><br></div></span>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.<div><br></div><div>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 <span style="font-size:12.8px">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.</span></div><span class="HOEnZb"><font color="#888888"><div><span style="font-size:12.8px"><br></span></div><div><span style="font-size:12.8px">-Robert</span></div></font></span><div><div class="h5"><div><span style="font-size:12.8px"><br></span></div><div><span style="font-size:12.8px"><br></span></div><div><span style="font-size:12.8px"><br></span></div><blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex">
<blockquote class="gmail_quote" style="margin:0px 0px 0px 0.8ex;border-left-width:1px;border-left-color:rgb(204,204,204);border-left-style:solid;padding-left:1ex"><span>
<br>
Mark<br>
<br>
On Wed, Oct 14, 2015 at 2:51 PM Dominik 'Rathann' Mierzejewski<br></span><div><div>
<<a href="mailto:dominik@greysector.net" target="_blank">dominik@greysector.net</a> <mailto:<a href="mailto:dominik@greysector.net" target="_blank">dominik@greysector.net</a>>> wrote:<br>
<br>
On Tuesday, 12 May 2015 at 10:19, David van der Spoel wrote:<br>
> On 2015-05-12 08:27, Roland Schulz wrote:<br>
> >Should we add xdrfile to gerrit so that we can easily accepts<br>
patches<br>
> >our standard way?<br>
> Would be great if it is not too much work...<br>
<br>
Sorry to revive an old thread, but it looks like there was no<br>
conclusion. Where is the source code for xdrfile located? I can find no<br>
other location than<br>
<a href="http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library" rel="noreferrer" target="_blank">http://www.gromacs.org/Developer_Zone/Programming_Guide/XTC_Library</a><br>
which links to <a href="ftp://ftp.gromacs.org/pub/contrib/xdrfile-1.1.4.tar.gz" rel="noreferrer" target="_blank">ftp://ftp.gromacs.org/pub/contrib/xdrfile-1.1.4.tar.gz</a><br>
<br>
In the meantime, there is ongoing work to rewrite xdrfile by MDAnalysis:<br>
<a href="https://github.com/MDAnalysis/mdanalysis/issues/419" rel="noreferrer" target="_blank">https://github.com/MDAnalysis/mdanalysis/issues/419</a><br>
<br>
I mentioned this thread there. Could you guys join efforts to avoid<br>
duplication of work?<br>
<br>
Regards,<br>
Dominik (still working on packaging MDAnalysis for Fedora)<br>
--<br>
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