Hi,
why not just use the new script Check_Orca_new.x? Once someone who has
orca installed checks it, I can replace the old script with it. Mine
checks if orca was written by Frank Neese, which should cover only very
few programs of this name...
Tom
On Fri, March 22, 2013 10:08 am, dcerutti.rci.rutgers.edu wrote:
> 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.
>
> http://dev-archive.ambermd.org/201301/0013.html
>
> Dave
>
>> 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
>>
>> _______________________________________________
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>> AMBER-Developers.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber-developers
>>
>
>
> _______________________________________________
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>
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 - 10:00:02 PDT
