diff options
| author | ijliao <ijliao@FreeBSD.org> | 2002-03-29 08:15:13 +0000 |
|---|---|---|
| committer | ijliao <ijliao@FreeBSD.org> | 2002-03-29 08:15:13 +0000 |
| commit | 285d21fd04e9700dbf093135f980004cab8eaab4 (patch) | |
| tree | 0e274f3d081e53c9e8b990e420a4cb70772636f3 /biology/deft/pkg-descr | |
| parent | 51b61e2fdcf3710a2fdeb3b0fa22381fad2a3a70 (diff) | |
| download | FreeBSD-ports-285d21fd04e9700dbf093135f980004cab8eaab4.zip FreeBSD-ports-285d21fd04e9700dbf093135f980004cab8eaab4.tar.gz | |
change master site
add mpich support
PR: 36468
Submitted by: maintainer
Diffstat (limited to 'biology/deft/pkg-descr')
| -rw-r--r-- | biology/deft/pkg-descr | 11 |
1 files changed, 6 insertions, 5 deletions
diff --git a/biology/deft/pkg-descr b/biology/deft/pkg-descr index 7b19566..0d0cf60 100644 --- a/biology/deft/pkg-descr +++ b/biology/deft/pkg-descr @@ -1,15 +1,16 @@ -DeFT is a density functional moleculat orbital -calculation program. +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. -Basis sets are prepared for H to Xe. +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. -WWW: http://www.chem.uottawa.ca/DeFT.html 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 |
