Re: [AMBER-Developers] Ocra tests fail in amusing way

From: <>
Date: Fri, 22 Mar 2013 10:08:18 -0400 (EDT)

You are not the first to have run into this problem; it was discovered by
a visiting faculty member in Case group early this year, and possibly even
occurred before that. I think there's something in the works to have SQM
use which to figure out Orca installation, but I don't know what has
happened since January.


> Hi all,
> I just compiled and ran a fresh checkout and found a novel problem (only
> one, yay!). The tests using the external Orca program in
> qmmm_EXTERN/pure_QM_MD_Orca fail on my machine. I do not have the QM
> program orca installed, but another tool called orca (A screen reader,
> part of some fedora defaults installs).
> The problem is, check_Orca.x in the test directory only checks if any
> executable named orca exists, not if it is the right one. Therefore make
> test starts the GUI of the other orca program and I need to manually kill
> it.
> An obvious solution is to uninstall the other orca program, but this
> problem may catch some users by suprise. can we check if e.g. orca --help
> gives the right output instead of just checking for file existence? I dont
> have QM orca installed to test, but I committed a new check_Orca_new.x
> that should check this correctly.
> Could someone with an orca installation check and verify if my solution
> really works?
> Thomas
> Dr. Thomas Steinbrecher
> formerly at the
> BioMaps Institute
> Rutgers University
> 610 Taylor Rd.
> Piscataway, NJ 08854
> _______________________________________________
> AMBER-Developers mailing list

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Received on Fri Mar 22 2013 - 07:30:03 PDT
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