[gmx-developers] Gromacs debugging and making a tools library

Marc Baaden baaden at smplinux.de
Fri Aug 2 19:52:41 CEST 2002


two unrelated questions, first about Gromacs and debugging. How do
you properly compile the whole Gromacs tree for debugging ? Should
you give an option to configure, or just do

make -CFLAGS=" -g -Wall "  ?

also, where does the -DDEBUG flag need to be defined. Is it as CPPFLAGS, .. ?

BTW, I just tried out ddd, which is a very nice graphical debugger
based on gdb (but can also use other debuggers).

The second question concerns the gromacs tools/analysis programs. Is
it (easily) possible to build a library with all the subroutines that
are used in those programs ? At the moment I usually copy the source
file and then make my modifications, which is often only adding another
subroutine. So a lot of things are double.

I also (dirtily) link in object files from the gromacs tree, which I
would rather not. So a library seems a nice option.

 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
 mailto:baaden at smplinux.de  - ICQ# 11466242 -  http://www.marc-baaden.de
 FAX/Voice +49 697912 39550  -  Tel: +44 1865 275380  or  +33 609 843217

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