On Tue, 2014-02-11 at 15:51 +0100, Josh Berryman wrote:
> >>>I think there are still a couple issues.
>
> Yup, like not compiling. Just a heads up in case noone else has been
> checking the cruise control. Here's the last bit of the log:
Indeed, I had not yet tried building parallel since the PQR parser was
added. The problem was one of dependencies which are unusually
difficult to get 'right' for PBSA. This is largely because the PBSA
source is compiled in 3 forms --- libpbsa (which links into NAB), pbsa
(the program itself), and libFpbsa (which links into sander) -- all of
which follow slightly different preprocessor paths with slightly
different sets of subroutines/variables in *some* of the modules (a
consequence of how PBSA was formerly a part of sander and our requests
of the UCI folks to get their code workable inside NAB).
In any case, I've updated the makedepend and Makefile to correct this
issue and it now builds for me. The issue I was seeing with sander and
the MMPBSA.py tests still exists, though.
All the best,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Tue Feb 11 2014 - 08:30:02 PST
