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

From: <>
Date: Fri, 22 Mar 2013 08:47:40 -0400 (EDT)

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

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?


Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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Received on Fri Mar 22 2013 - 06:00:05 PDT
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