summaryrefslogtreecommitdiff
path: root/biology/mopac/pkg-descr
blob: f9a0ba8c1454002f235e262feba17f59bf601821 (plain) (blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
This is a port of MOPAC7, semi-empirical (MNDO, AM1, PM3, MINDO/3) 
molecular orbital calculation. 
Public domain version of MOPAC93. 

This port uses Linux patch. 

Minematsu makes FreeBSD patchs, and Miyamoto is porting them.
And enlarging max atoms as  MAXHEV=50 & MAXLIT=50.

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 that an unusable binary was produced using g77 at FreeBSD 4,
then it is recommended to use f2c/cc.
--
rmiya