Hi Jason,
> Something about the ptraj_comprehensive test is confusing to me. How
> exactly is netcdf presence tested for? Is NETCDF an environment
> variable the user is supposed to set if they compiled with netcdf
> support, or is the Makefile supposed to figure that out by looking at
> the config.h in the src directory? At the present, it does not test
> netcdf by default, even though I have compiled with it (and indeed
> when I manually set NETCDF="yes" or anything, the tests for netcdf
> begin and succeed).
The test case should simply look at whether the argument $1 is blank or not.
This is passed in from the master Makefile_at makefile in the test
directory:
cd ptraj_comprehensive && ./Run.comprehensive $(NETCDF)
$(NETCDF) is set inside $AMBERHOME/src/config.h which is included in
Makefile_at.
config.h is also included in Makefile in the test directory which is a real
pain if you are just building pmemd like I have been and forget to run the
master amber configure script, but that is another story I hope to address
by making pmemd part of the master AMBER build.
Thus if you supplied -bintraj as an argument to ./configure - or let it use
it as the default then inside config.h you should have NETCDF=YES
Thus inside Makefile_at the variable NETCDF should = YES and thus the $1
argument to the ptraj comprehensive run script should not be null and hence
it should run the netcdf tests.
Is this not what you are seeing?
Of course things can go wrong if you were to re-run configure without
bintraj support (to build sander for example) after you built AMBERTools
with bintraj support.
All the best
Ross
/\
\/
|\oss Walker
| Assistant Research Professor |
| San Diego Supercomputer Center |
| Tel: +1 858 822 0854 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk |
http://www.wmd-lab.org/ |
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Received on Fri Dec 11 2009 - 09:00:02 PST
