<p dir="ltr">In the long term, I would like to get rid of the current regressiontests harness, and also store output data more selectively, but that day is not yet here.</p>
<p dir="ltr">So, please add some regressiontests that you think would help avoid (e.g.) upstream changes inadvertently breaking your invariants. If they're not present already, some unit tests would be a good idea - but I'd prioritise adding them now only in places where the documentation is sparse, or further work is expected.</p>
<p dir="ltr">Mark</p>
<div class="gmail_quot<blockquote class=" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Hi,<br>
<br>
I have uploaded the computational electrophysiology patch to gerrit. For now, I have added<br>
a few basic tests, more can follow next week. New code (in the swap/test subdirectory) is in C++ but<br>
the classic code from the comp_el_r46 branch still uses the C subset. Perhaps you could comment<br>
on what you think are the most important issues: e.g., more tests, transfer of the main module to C++.<br>
I plan to add some regression tests unless it is preferred to do that also in the framework of google<br>
test.<br>
<br>
Best,<br>
Carsten<br>
<br>
<br>
On 12/06/2013 04:37 PM, Erik Lindahl wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi Carsten,<br>
<br>
If you want it to have any chance to make 5.0 it needs to be a patch ASAP.<br>
<br>
While we might make some exceptions for new functionality in the second beta, there won’t be more exceptions after the holidays!<br>
<br>
Cheers,<br>
<br>
Erik<br>
<br>
On 06 Dec 2013, at 15:52, David van der Spoel <<a href="mailto:spoel@xray.bmc.uu.se" target="_blank">spoel@xray.bmc.uu.se</a>> wrote:<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
On 2013-12-06 15:23, Carsten Kutzner wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi,<br>
<br>
On Dec 5, 2013, at 8:31 PM, Mark Abraham <<a href="mailto:mark.j.abraham@gmail.com" target="_blank">mark.j.abraham@gmail.com</a>> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
There's a number of features still to complete, so we hope to do another beta as a Christmas present ;-) Code not yet present in gerrit has an extremely low chance of making it into 5.0, but 5.1 won't be a year away (TBD).<br>
<br>
</blockquote>
The computational electrophysiology method is not yet in gerrit but in a separate branch comp_el_master.<br>
Code and documentation is there, regressiontests am working on now. This code does not interfere a lot<br>
with mdrun and is therefore probably not too critical, plus it is mature since we have been using it for<br>
quite some time now. Would it make sense to submit a work in progress version to gerrit so that you guys<br>
can comment on it?<br>
</blockquote>
The only way to ever get in into master is to upload it to gerrit as a<br>
patch to master :).<br>
<br>
How about C++ and unittests?<br>
<br>
Of course no guarantees.<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Best,<br>
Carsten<br>
<br>
<br>
--<br>
Dr. Carsten Kutzner<br>
Max Planck Institute for Biophysical Chemistry<br>
Theoretical and Computational Biophysics<br>
Am Fassberg 11, 37077 Goettingen, Germany<br>
Tel. <a href="tel:%2B49-551-2012313" value="+495512012313" target="_blank">+49-551-2012313</a>, Fax: <a href="tel:%2B49-551-2012302" value="+495512012302" target="_blank">+49-551-2012302</a><br>
<a href="http://www.mpibpc.mpg.de/grubmueller/kutzner" target="_blank">http://www.mpibpc.mpg.de/<u></u>grubmueller/kutzner</a><br>
<a href="http://www.mpibpc.mpg.de/grubmueller/sppexa" target="_blank">http://www.mpibpc.mpg.de/<u></u>grubmueller/sppexa</a><br>
<br>
</blockquote>
<br>
-- <br>
David van der Spoel, Ph.D., Professor of Biology<br>
Dept. of Cell & Molec. Biol., Uppsala University.<br>
Box 596, 75124 Uppsala, Sweden. Phone: <a href="tel:%2B46184714205" value="+46184714205" target="_blank">+46184714205</a>.<br>
<a href="mailto:spoel@xray.bmc.uu.se" target="_blank">spoel@xray.bmc.uu.se</a> <a href="http://folding.bmc.uu.se" target="_blank">http://folding.bmc.uu.se</a><br>
-- <br>
Gromacs Developers mailing list<br>
<br>
* Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists/GMX-<u></u>developers_List</a> before posting!<br>
<br>
* Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists</a><br>
<br>
* For (un)subscribe requests visit<br>
<a href="https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers" target="_blank">https://maillist.sys.kth.se/<u></u>mailman/listinfo/gromacs.org_<u></u>gmx-developers</a> or send a mail to <a href="mailto:gmx-developers-request@gromacs.org" target="_blank">gmx-developers-request@<u></u>gromacs.org</a>.<br>
</blockquote></blockquote>
<br>
-- <br>
Gromacs Developers mailing list<br>
<br>
* Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists/GMX-<u></u>developers_List</a> before posting!<br>
<br>
* Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists" target="_blank">http://www.gromacs.org/<u></u>Support/Mailing_Lists</a><br>
<br>
* For (un)subscribe requests visit<br>
<a href="https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers" target="_blank">https://maillist.sys.kth.se/<u></u>mailman/listinfo/gromacs.org_<u></u>gmx-developers</a> or send a mail to <a href="mailto:gmx-developers-request@gromacs.org" target="_blank">gmx-developers-request@<u></u>gromacs.org</a>.<br>
</div>