apbs packaging for MacPorts

Jack Howarth howarth at bromo.med.uc.edu
Tue Sep 15 20:30:23 PDT 2009


   I just finished porting the current apbs-1.1.0
packaging from fink to MacPorts. It works fine to
generate the electrostatic surfaces on molecules
in the pymol-1.2r1 packaging that I posted last
night. I haven't bothered yet to enable the python
support in abps yet. If anyone here has a preference
on that let me know. I've never used it myself and
when I work up the associated apbs-mpi package (built
against openmpi this weekend), I have to disable
the python support in that one anyway since you
can't build both the mpi and python support at the
same time. 
   Actually this brings up a question. Do we have
any packages that use mpi support at the moment?
What is the preference in MacPorts? Should I use
the system openmpi or a MacPorts openmpi package?
In fink, I maintained both the lammpi/openmpi
packages and would create variants (gromacs-mpi,
apbs-mpi,etc) that would build against either
(since the fink lammpi/openmpi packages can
co-exist with each other).
           Jack


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