[AMBER-Developers] Cpptraj added to AmberTools build

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Thu, 30 Dec 2010 14:35:56 -0500

Hi All,

I just wanted to let everyone know that I have added cpptraj to the
main AmberTools build. The cpptraj binary will now appear in
$AMBERHOME/bin after serial compilation, but otherwise the build
process should be unaffected. The configure script will now check for
availability of zlib and bzlib (which are required for compressed file
support in cpptraj) and set variables ZLIB and BZLIB in config.h,
along with adding the directives -DHASBZ2 and -DHASGZ to the OCFLAGS
variable if found. If they are not available the configure script
should gracefully acknowledge this and continue, and cpptraj will be
built without support for compressed files.

Cpptraj can still be built separately from the rest of AmberTools by
using the configure script and default Makefile in
AmberTools/src/cpptraj (although AmberTools netcdf is no longer used
as default).

The tests in the AmberTools/src/cpptraj/test directory will attempt to
use AMBERHOME/bin/cpptraj when AMBERHOME is set.

I have run all tests and everything seems OK. However, please let me
know if anyone encounters any problems related to these changes.

Hope everyone is enjoying their holiday and not buried under tons of snow.


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Received on Thu Dec 30 2010 - 12:00:04 PST
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