<div dir="ltr">Hi,<div><br></div><div>Those tests assert on the contents of grompp -po (so that we know we aren't breaking that as we re-work mdp handling), which of course you have changed. Either run bin/gmxpreprocess-test -refdata update-changed and commit the resulting updated xml files, or just use ir->userint[1234] etc existing mdp-to-ir extension hooks, if you're doing something simple enough.</div><div><br></div><div>Mark</div></div><br><div class="gmail_quote"><div dir="ltr">On Fri, Apr 7, 2017 at 2:55 PM Vedran Miletić <<a href="mailto:vedran@miletic.net">vedran@miletic.net</a>> wrote:<br></div><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">Adding a trivial ITYPE to readir.cpp and matching member to inputrec.h:<br class="gmail_msg">
<br class="gmail_msg">
<a href="https://ghostbin.com/paste/jsobr" rel="noreferrer" class="gmail_msg" target="_blank">https://ghostbin.com/paste/jsobr</a><br class="gmail_msg">
<br class="gmail_msg">
makes new IrTests fail:<br class="gmail_msg">
<br class="gmail_msg">
[ FAILED ] 5 tests, listed below:<br class="gmail_msg">
[ FAILED ] GetIrTest.HandlesDifferentKindsOfMdpLines<br class="gmail_msg">
[ FAILED ] GetIrTest.HandlesOnlyCutoffScheme<br class="gmail_msg">
[ FAILED ] GetIrTest.UserErrorsSilentlyTolerated<br class="gmail_msg">
[ FAILED ] GetIrTest.EmptyInputWorks<br class="gmail_msg">
[ FAILED ] GetIrTest.ProducesOutputFromElectricField<br class="gmail_msg">
<br class="gmail_msg">
What am I missing? What else should be modified?<br class="gmail_msg">
<br class="gmail_msg">
Regards,<br class="gmail_msg">
Vedran<br class="gmail_msg">
<br class="gmail_msg">
--<br class="gmail_msg">
Vedran Miletić<br class="gmail_msg">
<a href="http://vedran.miletic.net" rel="noreferrer" class="gmail_msg" target="_blank">vedran.miletic.net</a><br class="gmail_msg">
--<br class="gmail_msg">
Gromacs Developers mailing list<br class="gmail_msg">
<br class="gmail_msg">
* Please search the archive at <a href="http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List" rel="noreferrer" class="gmail_msg" target="_blank">http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List</a> before posting!<br class="gmail_msg">
<br class="gmail_msg">
* Can't post? Read <a href="http://www.gromacs.org/Support/Mailing_Lists" rel="noreferrer" class="gmail_msg" target="_blank">http://www.gromacs.org/Support/Mailing_Lists</a><br class="gmail_msg">
<br class="gmail_msg">
* For (un)subscribe requests visit<br class="gmail_msg">
<a href="https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers" rel="noreferrer" class="gmail_msg" target="_blank">https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers</a> or send a mail to <a href="mailto:gmx-developers-request@gromacs.org" class="gmail_msg" target="_blank">gmx-developers-request@gromacs.org</a>.</blockquote></div>