As you might notice, I've recently committed lots of small changes to sander
and related parts of CVS. I haven't seen any reported problems, but it may be
necessary to re-create the "depend" files in the sander, sqm and rism source
directories. [I'm still trying to figure out the best way to handle this, and
I accidentally deleted Volodymyr's suggestions....]
There is new subdirectory, amber11/src/include, which will contain header
files needed in several places. In order to avoid name conflicts between C
and Fortran headers, I've followed Joe's lead, and named the latter *.fh.
This directory should contain "standard" headers that are not especially
program-specific. Things like sander's "md.h" should not be placed there
--rather, code outside the sander directory that reference it should (at
some point) be re-written.
[Mostly for Ross:] I have eliminated all under-the-hood CVS links between
sander and the sqm and rism source directories. There are still a few headers
that are now copies in the two directories (this is a temporary feature); but
if you make header changes, you may need to check that they get made
everywhere. Also, qmmm_module.f is copied in both places -- I'm still
thinking about the proper way to solve this problem.
I've also moved amber11/src/gleap/mortsrc/nablib to nablib.old. This is a
first step toward removing this subdirectory completely, since I think(?) it
is obsolete. If you are using code there, please let me know -- presumably
things will break if you are.
...dac
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Mon Aug 24 2009 - 11:11:25 PDT
