The FreeBSD Ports Archive

FreeBSD biology : psi88

Plotting wavefunctions (molecular orbitals) in 3D

 PSI/88 Version 1.0  by W. L. Jorgensen & D. L. Severance

To plot wavefunctions in three dimensions from
semi-empirical and most popular ab initio basis sets.
Valence semi-empirical, STO-3G, 3-21++G(*) and
6-31++G(d,p) basis sets are implemented for atoms
H-Ar. 

psi88 history

v. 1.16
date: 2007/07/12 06:41:22;  author: maho;  state: Exp;  lines: +1 -4
Now we use USE_FORTRAN=yes to use FORTRAN compiler.

v. 1.15
date: 2007/01/29 02:13:52;  author: maho;  state: Exp;  lines: +2 -1
Build fix.

Submitted by:	kris via pointyhat and pav.

v. 1.14
date: 2007/01/16 04:41:41;  author: maho;  state: Exp;  lines: +4 -5
* Migrate to gfortran.
* Bump port revision.
* fix build [1].

Submitted by:	kris [1]

v. 1.13
date: 2007/01/09 02:37:43;  author: maho;  state: Exp;  lines: +12 -1
* Add dummy knob WANT_FORTRAN for future gfortran
  migration. currently it is not buildable with gfrotran42.
* Honor FC and FFLAGS.

v. 1.12
date: 2006/04/05 06:13:46;  author: linimon;  state: Exp;  lines: +1 -1
Reset rmiya@cc.hirosaki-u.ac.jp who has not responded to email asking about
maintainer timeouts.

Hat:	portmgr

v. 1.11
date: 2004/05/23 07:36:35;  author: krion;  state: Exp;  lines: +1 -4
- Fix MASTER_SITES

PR:		ports/67045
Submitted by:	Stefan Walter 

v. 1.10
date: 2004/02/21 21:48:55;  author: kris;  state: Exp;  lines: +2 -0
BROKEN: Does not fetch

v. 1.9
date: 2003/02/21 11:01:36;  author: knu;  state: Exp;  lines: +1 -0
De-pkg-comment.

v. 1.8
date: 2001/10/22 06:36:14;  author: ijliao;  state: Exp;  lines: +3 -2
update WWW and master site

PR:		31011
Submitted by:	maintainer

v. 1.7
date: 2001/07/08 18:15:33;  author: ijliao;  state: Exp;  lines: +4 -4
Add NOPORTDOCS support to pkg-plist

v. 1.6
date: 2000/04/08 22:04:51;  author: mharo;  state: Exp;  lines: +4 -4
update with the new PORTNAME/PORTVERSION variables

v. 1.5
date: 1999/08/28 01:56:56;  author: mharo;  state: Exp;  lines: +2 -2
ln -> ${LN}

v. 1.4
date: 1999/08/25 04:48:05;  author: obrien;  state: Exp;  lines: +1 -1
Change Id->FreeBSD.

v. 1.3
date: 1999/05/08 08:09:55;  author: taoka;  state: Exp;  lines: +2 -2
Changed MASTER_SITES

PR:		11572
Submitted by:	maintainer

v. 1.2
date: 1999/05/06 08:27:29;  author: taoka;  state: Exp;  lines: +2 -2
Fixed ${CATEGORIES} (removed misc from it)

v. 1.1
date: 1999/05/06 08:22:11;  author: taoka;  state: Exp;
branches:  1.1.1;
Initial revision

v. 1.1.1.1
date: 1999/05/06 08:22:11;  author: taoka;  state: Exp;  lines: +0 -0
Plotting wavefunctions (molecular orbitals) in 3D

PR:             ports/8696
Submitted by:   Ryo MIYAMOTO rmiya@cc.hirosaki-u.ac.jp
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