DeFT is a density functional moleculat orbital calculation program, 
which was made by Alain St-Amant at Univ. Ottawa. 
If you are interested in DeFT, please try to contact him.

URL:http://www.chem.uottawa.ca/st-amant/st-amant_en.html

DeFT_2.2 may be run with MPI, but I did not try it.


Potring to 4.0-CURRENT (__FreeBSD_version == 400005) and later versions 
have been assisted greatly by Glenn Johnson <gjohnson@nola.srrc.usda.gov>, 
thanks a lot !
He found a couple of troublesome in optimization using g77 at FreeBSD 4,
then it is recommended to use f2c/cc.
--
rmiya