I think I recall adding this initially, but then removing it when others
thought it should be an optional thing. (All you'd have to do is check for
the existence of the $AMBERHOME/src/sander or pmemd directories)
At this point, I think it should be omitted since that will render the patch
applicable to AmberTools 1.5 and Amber 11 only, not AmberTools 1.4 + Amber
11 if that's what users want to continue using (for consistent PBSA
versions, for example). Of course, if you need to make other changes to
configure that will impose this restriction anyway, this may not be much of
an argument.
All the best,
Jason
On Sat, Jul 16, 2011 at 3:34 PM, Ross Walker <ross.rosswalker.co.uk> wrote:
> Hi Peeps,
>
> I am in the process of putting together an update patch for the GPU code.
> One thing that is very annoying is having to keep rerunning the
> AT15_Amber11.py script after configure. Plus I bet a LOT of users miss this
> even with the message printed at the end of ./configure.
>
> This may have been asked before but I am only just getting back into the
> land of the 'virtual' after a busy few months so is there any reason why
> the
> configure script in AMBERTools1.5 should not just run the AT15_Amber11.py
> script automatically at the end? It seems crazy to have to rely on the user
> to do it when it looks like it could be so easily automated. Surely it can
> just check for the existence of AMBER 11 in the AMBERHOME directory so it
> knows whether to run or not?
>
> All the best
> Ross
>
> /\
> \/
> |\oss Walker
>
> ---------------------------------------------------------
> | Assistant Research Professor |
> | San Diego Supercomputer Center |
> | Adjunct Assistant Professor |
> | Dept. of Chemistry and Biochemistry |
> | University of California San Diego |
> | NVIDIA Fellow |
> | http://www.rosswalker.co.uk | http://www.wmd-lab.org/ |
> | Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
> ---------------------------------------------------------
>
> Note: Electronic Mail is not secure, has no guarantee of delivery, may not
> be read every day, and should not be used for urgent or sensitive issues.
>
>
>
>
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>
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sat Jul 16 2011 - 17:00:02 PDT
