FreshPorts -- The Place For Ports If you buy from Amazon USA, please support us by using this link.
Follow us
Blog
Twitter

I am looking for an LTO tape library. Do you have one to spare?
Port details
psi88 1.0_6 biology on this many watch lists=0 search for ports that depend on this port
Plotting wavefunctions (molecular orbitals) in 3D

There is no maintainer for this port.
Any concerns regarding this port should be directed to the FreeBSD Ports mailing list via ports@FreeBSD.org search for ports maintained by this maintainer
Port Added: unknown
License: not specified in port


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.

WWW: http://zarbi.chem.yale.edu/products/psi88/index.shtml

On-line manual is available at this web site.

You can also download the source code of psi88 from
the above site as a ``psi88.tar.gz''.  When you do ungzip and 
untar this archive, you will obtain some documents and 
the ``psi88.tar.Z'' file which is required at this port.
SVNWeb : Main Web Site : Distfiles Availability : PortsMon

NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.

Required To Build:
  1. lang/gcc
  2. devel/binutils
Required To Run:
  1. lang/gcc
There are no ports dependent upon this port

To install the port: cd /usr/ports/biology/psi88/ && make install clean
To add the package: pkg install biology/psi88


Configuration Options
===> The following configuration options are available for psi88-1.0_6:
     DOCS=on: Build and/or install documentation
     EXAMPLES=on: Build and/or install examples
===> Use 'make config' to modify these settings

Master Sites:
  1. http://distcache.FreeBSD.org/ports-distfiles/
  2. http://www.ccl.net/cca/software/SOURCES/FORTRAN/psi88/

Number of commits found: 26

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
29 Jul 2014 19:11:53
Original commit files touched by this commit  1.0_6
Revision:363374
adamw search for other commits by this committer
Convert a bunch of EXTRACT_SUFX=... into USES=tar:...

Approved by:	portmgr (not really, but touches unstaged ports)
28 Jul 2014 14:22:16
Original commit files touched by this commit  1.0_6
Revision:363159
adamw search for other commits by this committer
Rename biology/ patch-xy patches to reflect the files they modify.
10 Mar 2014 20:55:22
Original commit files touched by this commit  1.0_6
Revision:347809
gerald search for other commits by this committer
Update the default version of GCC used in the Ports Collection from
GCC 4.6.4 to GCC 4.7.3.  This entails updating the lang/gcc port as
well as changing the default in Mk/bsd.default-versions.mk.

Part II, Bump PORTREVISIONs.

PR:		182136
Supported by:	Christoph Moench-Tegeder <cmt@burggraben.net> (fixing many ports)
Tested by:	bdrewery (two -exp runs)
18 Dec 2013 16:23:09
Original commit files touched by this commit  1.0_5
Revision:336845
tijl search for other commits by this committer
USES=fortran, staging, miscellaneous cleanups.
26 Oct 2013 00:52:36
Original commit files touched by this commit  1.0_5
Revision:331644
gerald search for other commits by this committer
Update to libmpc version 1.0.1 which brings the following fixes:

 - Switched to automake 1.11.6, see CVE-2012-3386.
 - #14669: Fixed extraction of CC from gmp.h.
 - Fixed case of intermediate zero real or imaginary part in mpc_fma,
   found by hydra with GMP_CHECK_RANDOMIZE=1346362345.

This is on top of the following changes from version 1.0

 - Licence change towards LGPLv3+ for the code and GFDLv1.3+ (with no
   invariant sections) for the documentation.
 - 100% of all lines are covered by tests
 - Renamed functions
   . mpc_mul_2exp to mpc_mul_2ui
   . mpc_div_2exp to mpc_div_2ui
(Only the first 15 lines of the commit message are shown above View all of this commit message)
20 Sep 2013 15:55:44
Original commit files touched by this commit  1.0_4
Revision:327709
bapt search for other commits by this committer
Add NO_STAGE all over the place in preparation for the staging support (cat:
biology)
19 Jun 2013 19:54:14
Original commit files touched by this commit  1.0_4
Revision:321315
bsam search for other commits by this committer
. NOPORTDOCS -> PORT_OPTIONS:MDOCS;
. mute mdir commands and unmute install commands;
. do not use mkdir for parent directories (mkdir implies "-p");
. introduce EXAMPLE option (do not install examples to DOCSDIR);
. bump PORTREVISION;
. make use of PLIST_FILES, PORTDOCS and PORTEXAMPLES at Makefile;
. get rid of pkg-plist;
. use standard DOCSDIR and EXAMPLESDIR (instead of a PREFIX/foo/bar path);
. trim Makefile headers.
19 Mar 2011 12:38:54
Original commit files touched by this commit  1.0_3
miwi search for other commits by this committer
- Get Rid MD5 support
13 Sep 2009 00:08:01
Original commit files touched by this commit  1.0_3
gerald search for other commits by this committer
Bump PORTREVISION for everything that sets USE_FORTRAN=yes which now
implies lang/gcc44 up from lang/gcc43.

Approved by:    portmgr
07 Jan 2009 16:34:27
Original commit files touched by this commit  1.0_2
gerald search for other commits by this committer
Bump PORTREVISION due to change of USE_FORTRAN=yes to GCC 4.3.
12 Jul 2007 06:41:22
Original commit files touched by this commit  1.0_1
maho search for other commits by this committer
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
29 Jan 2007 02:13:52
Original commit files touched by this commit  1.0_1
maho search for other commits by this committer
Build fix.

Submitted by:   kris via pointyhat and pav.
19 Jan 2007 02:19:06
Original commit files touched by this commit  1.0_1
maho search for other commits by this committer
Forgot to commit a patch. Fixes build.

Submitted by:   kris via pointyhat.
16 Jan 2007 04:41:41
Original commit files touched by this commit  1.0_1
maho search for other commits by this committer
* Migrate to gfortran.
* Bump port revision.
* fix build [1].

Submitted by:   kris [1]
09 Jan 2007 02:37:43
Original commit files touched by this commit  1.0
maho search for other commits by this committer
* Add dummy knob WANT_FORTRAN for future gfortran
  migration. currently it is not buildable with gfrotran42.
* Honor FC and FFLAGS.
05 Apr 2006 06:13:46
Original commit files touched by this commit  1.0
linimon search for other commits by this committer
Reset rmiya@cc.hirosaki-u.ac.jp who has not responded to email asking about
maintainer timeouts.

Hat:    portmgr
22 Jan 2006 08:20:34
Original commit files touched by this commit  1.0
edwin search for other commits by this committer
SHA256ify

Approved by:    krion@
23 May 2004 07:36:35
Original commit files touched by this commit  1.0
krion search for other commits by this committer
- Fix MASTER_SITES

PR:             ports/67045
Submitted by:   Stefan Walter <sw@gegenunendlich.de>
31 Mar 2004 03:12:58
Original commit files touched by this commit  1.0
trevor search for other commits by this committer
SIZEify (maintainer timeout)
21 Feb 2004 21:48:55
Original commit files touched by this commit  1.0
kris search for other commits by this committer
BROKEN: Does not fetch
22 Oct 2003 09:29:55
Original commit files touched by this commit  1.0
osa search for other commits by this committer
Cosmetic fix: use %%DOCSDIR%% macro.
No functionally changes.

Submitted by:   Oleg Karachevtsev <ok@etrust.ru>
A part of PR:   57992
21 Feb 2003 11:01:38
Original commit files touched by this commit  1.0
knu search for other commits by this committer
De-pkg-comment.
22 Oct 2001 07:36:14
files touched by this commit
ijliao search for other commits by this committer
update WWW and master site    
08 Jul 2001 19:15:34
files touched by this commit
ijliao search for other commits by this committer
Add NOPORTDOCS support to pkg-plist    
09 Mar 2001 12:14:23
files touched by this commit
sf search for other commits by this committer
fix WWW:    
08 Oct 2000 00:23:30
files touched by this commit
asami search for other commits by this committer
Convert category biology to new layout.  

Number of commits found: 26

Login
User Login
Create account

Servers and bandwidth provided by
New York Internet, SuperNews, and RootBSD

This site
What is FreshPorts?
About the authors
FAQ
How big is it?
The latest upgrade!
Privacy
Forums
Blog
Contact

Search
Enter Keywords:
 
more...

Latest Vulnerabilities
chromiumAug 26
fileAug 21
py-djangoAug 21
py-django-develAug 21
py-django14Aug 21
py-django15Aug 21
php53Aug 18
phpmyadminAug 17
chromiumAug 13
serfAug 11
subversionAug 11
subversion17Aug 11
nginxAug 09
nginx-develAug 09
mingw32-opensslAug 06

6 vulnerabilities affecting 9 ports have been reported in the past 14 days

* - modified, not new

All vulnerabilities


Ports
Home
Categories
Deleted ports
Sanity Test Failures
Newsfeeds


Statistics
Graphs
NEW Graphs (Javascript)
Traffic

Calculated hourly:
Port count 24519
Broken 217
Deprecated 719
Ignore 561
Forbidden 36
Restricted 261
No CDROM 101
Vulnerable 23
Expired 0
Set to expire 709
Interactive 0
new 24 hours 10
new 48 hours16
new 7 days60
new fortnight98
new month264

Servers and bandwidth provided by
New York Internet, SuperNews, and RootBSD
Valid HTML, CSS, and RSS.
Copyright © 2000-2014 Dan Langille. All rights reserved.