The FreeBSD Ports Archive
FreeBSD biology  : tinker
A general purpose molecular modelling package
Tinker is a set of small programs for doing general purpose molecular
modeling calculations. Tools are included for energy minimizations,
geometry calculations, simulated annealing, molecular dynamics, and
molecular analysis calculations. Tools for converting coordinate sets
are also provided. Tinker employs several force fields and minimization
techniques.
This port sets the maxatm value to 2500 atoms. This should be
sufficient for most molecular systems. Should you need to work with
larger systems you can set the maxatm parameter in the sizes.i file
located in the tinker/source directory and recompile. Note that if it
is set too large that tinker programs will abort and core dump.
For more information about Tinker see:
http://dasher.wustl.edu/tinker/
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tinker history
v. 1.36
date: 2007/07/12 06:49:37; author: maho; state: Exp; lines: +2 -4
Now we use USE_FORTRAN=yes to use FORTRAN compiler.
v. 1.35
date: 2007/05/25 01:41:55; author: edwin; state: Exp; lines: +2 -4
swap MASTER_SITES to improve fetchiness on pointyhat which is blocked from dasher.wustl.edu
v. 1.34
date: 2007/05/25 01:00:15; author: kris; state: Exp; lines: +2 -0
BROKEN: Unfetchable
v. 1.33
date: 2007/04/21 15:26:54; author: miwi; state: Exp; lines: +3 -3
- Unbreak
- Add backup MASTER_SITES
PR: 111963
Submitted by: Jason Harris
v. 1.32
date: 2007/04/20 08:03:12; author: kris; state: Exp; lines: +2 -0
BROKEN: Unfetchable
v. 1.31
date: 2007/03/16 21:16:36; author: gabor; state: Exp; lines: +0 -2
- MASTER_SITE is back, remove BROKEN
PR: ports/109954
Submitted by: Tsurutani Naoki
v. 1.30
date: 2007/02/27 04:55:59; author: kris; state: Exp; lines: +2 -0
BROKEN: Unfetchable
v. 1.29
date: 2007/01/12 12:21:21; author: maho; state: Exp; lines: +5 -0
* Migrate to gfortran.
* Bump port revision.
v. 1.28
date: 2006/05/03 23:26:34; author: edwin; state: Exp; lines: +0 -1
Remove USE_REINPLACE from all categories starting with B
v. 1.27
date: 2004/09/25 08:06:08; author: thierry; state: Exp; lines: +1 -1
Upgrade to latest v. to make fetchable again.
Approved by: portmgr (marcus)
v. 1.26
date: 2004/08/19 22:24:21; author: thierry; state: Exp; lines: +27 -75
- Unbreak by upgrading to 4.2;
- Use DIST_SUBDIR because tarball is not versioned;
- Add sysdate to PORTVERSION to handle minor revisions;
- Do some cleaning.
v. 1.25
date: 2004/07/23 20:31:09; author: anholt; state: Exp; lines: +3 -6
Use X_IMAKE_PORT instead of dist-specific imake dependencies. While here,
make the BROKEN message a little more informative.
v. 1.24
date: 2004/07/03 09:53:15; author: kris; state: Exp; lines: +2 -0
BROKEN: Checksum mismatch
v. 1.23
date: 2004/04/10 17:26:29; author: trevor; state: Exp; lines: +5 -5
Tidy up whitespace.
v. 1.22
date: 2003/11/21 22:28:34; author: pav; state: Exp; lines: +2 -6
- Update checksum again, seems author removes .ps version of documentation
from tarball
- Unmark broken, it builds for me just fine
Approved by: adamw (mentor)
v. 1.21
date: 2003/10/16 00:58:05; author: linimon; state: Exp; lines: +0 -0
Forced commit to add rationale. (Note: this port was previously
broken due to a bad checksum; the initial intent of the update
was to try to fix only that. However, the new v. fails
as well, but this led to my being sloppy with the checkin.
As Maxwell Smart said, "Sorry about that, Chief.")
New distfile 9/13. "Changes from TINKER 4.0 include some new force
field parameter sets, improvements to rigid body dynamics, a
Nose-Hoover thermostat, and numerous minor additions and bug fixes."
However, the compilation fails in sockets.c with an undefined
ref to . This is part of: "an interface between TINKER Fortran
code and FFE Java objects used for socket based communication."
Some interested party is going to have to take up this one, I'm
afraid, as I have no idea what is involved.
Reminded by: kris
v. 1.20
date: 2003/10/15 23:56:43; author: linimon; state: Exp; lines: +2 -1
Fixes the checksum problem, but doesn't fix the port; adds a BROKEN
line about how it fails. Some other interested person will have
to take it from here.
PR: 56882
v. 1.19
date: 2003/07/25 22:30:55; author: maho; state: Exp; lines: +14 -17
Some clean-up.
a) ECHO-> ECHO_CMD
b) place of WITH_OPTIMIZED_FLAGS seems to be wrong.
c) fix errors reported from freshports.org
v. 1.18
date: 2003/07/25 21:19:09; author: maho; state: Exp; lines: +0 -9
Duplicated the `pre-extract:' and `post-build:'
Submitted by: Glenn Johnson
Pointy hat to: myself
v. 1.17
date: 2003/07/25 07:19:40; author: maho; state: Exp; lines: +25 -11
a) Some corrupts with Makefile and pkg-plist.
b) forgot to notice that drop maintainership to ports@
Submitted by: Glenn Johnson
Pointy hat to: myself
v. 1.16
date: 2003/07/25 02:48:05; author: maho; state: Exp; lines: +16 -1
a) Forgot to update distinfo 52498
b) added LEGAL. author requests no distribution
except from his FTP site
c) clean-ups for compiler optimization
Submitted by: Glenn Johnson
Pointy hat to: maho; partially :)
v. 1.15
date: 2003/07/19 03:48:44; author: maho; state: Exp; lines: +1 -7
Maintainer update of biology/tinker port to version 4.0.
PR: 52498
Submitted by: Glenn Johnson
v. 1.14
date: 2003/03/30 06:43:14; author: edwin; state: Exp; lines: +6 -1
Update the biology/tinker Makefile so it builds on -current
PR: ports/50371
Submitted by: Glenn Johnson
v. 1.13
date: 2003/02/21 11:01:37; author: knu; state: Exp; lines: +1 -0
De-pkg-comment.
v. 1.12
date: 2002/01/19 15:15:16; author: ijliao; state: Exp; lines: +5 -4
Upgrade tinker to the latest revision
PR: 33425
Submitted by: maintainer
v. 1.11
date: 2001/09/13 03:50:40; author: lioux; state: Exp; lines: +41 -41
style fix: un"echo" commands
Approved by: MAINTAINER
v. 1.10
date: 2001/09/13 01:13:52; author: lioux; state: Exp; lines: +18 -8
Update to 3.9
PR: 30398
Submitted by: MAINTAINER
v. 1.9
date: 2001/04/20 14:01:31; author: olgeni; state: Exp; lines: +6 -20
Update distfile checksum (PORTREVISION bumped)
also:
* Change maintainer's email address.
* Remove support for older FreeBSD versions.
PR: 26710
Submitted by: Glenn Johnson
v. 1.8
date: 2001/01/24 17:58:43; author: ijliao; state: Exp; lines: +45 -17
update from 3.7 to 3.8
PR: 24371
Submitted by: MAINTAINER
v. 1.7
date: 2000/06/09 04:59:13; author: will; state: Exp; lines: +21 -21
Clean up this port so that it installs stuff in a more proper location
as per hier(7) and Porter's Handbook.
PR: 18929
Submitted by: MAINTAINER
v. 1.6
date: 2000/04/08 22:04:55; author: mharo; state: Exp; lines: +4 -4
update with the new PORTNAME/PORTVERSION variables
v. 1.5
date: 1999/08/25 04:48:08; author: obrien; state: Exp; lines: +1 -1
Change Id->FreeBSD.
v. 1.4
date: 1999/06/23 00:25:45; author: cpiazza; state: Exp; lines: +16 -10
Update tinker from version 3.6 to version 3.7
PR: 12301
Submitted by: maintainer
v. 1.3
date: 1999/05/24 02:01:37; author: steve; state: Exp; lines: +17 -13
Fix build on -current (Alpha) machines.
v. 1.2
date: 1998/11/18 02:10:54; author: jkoshy; state: Exp; lines: +4 -3
Add a comment about setting env var 'FC' to 'g77' if EGCS is to be
used for building.
v. 1.1
date: 1998/11/17 04:53:17; author: jkoshy; state: Exp;
branches: 1.1.1;
Initial revision
v. 1.1.1.1
date: 1998/11/17 04:53:17; author: jkoshy; state: Exp; lines: +0 -0
New port of the Tinker Molecular modelling program.
PR: 8690
Reviewed by: jkoshy
Submitted by: Glenn Johnson
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