| Port details |
- tinker General purpose molecular modelling package
- 8.11.1 science
 =0      8.10.5_1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2018-10-07 00:19:53
- Last Update: 2024-04-14 19:07:35
- Commit Hash: 8f98d16
- License: TINKER
- WWW:
- https://dasher.wustl.edu/tinker/
- Description:
- 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:
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- To install the port:
- cd /usr/ports/science/tinker/ && make install clean
- We doubt a package is available for this port because we see it marked as as:
-
Packages are normally not provided for ports that are marked as above.
- To add the package, run one of these commands:
- pkg install science/tinker
- pkg install tinker
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: there is no package for this port: _LICENSE_RESTRICTED = delete-package delete-distfiles
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1713071651
SHA256 (tinker-8.11.1.tar.gz) = cdbf2dfb5e43c3438b27ac8b767c9290ae2948e62333149babd72a6811963731
SIZE (tinker-8.11.1.tar.gz) = 74273877
No package information for this port in our database- Sometimes this happens. Not all ports have packages.
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- gfortran13 : lang/gcc13
- gmake>=4.4.1 : devel/gmake
- as : devel/binutils
- Runtime dependencies:
-
- gfortran13 : lang/gcc13
- Library dependencies:
-
- libfftw3.so : math/fftw3
- There are no ports dependent upon this port
Configuration Options:- ===> The following configuration options are available for tinker-8.11.1:
DOCS=on: Build and/or install documentation
EXAMPLES=on: Build and/or install examples
NATIVE=off: Use native optimization (-march=native)
OPTIMIZED_FFLAGS=off: Fortran compilation optimizations
SIMD=off: Use CPU-specific optimizations
===> Use 'make config' to modify these settings
- Options name:
- science_tinker
- USES:
- fortran gmake
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
8.11.1
14 Apr 2024 19:07:35
 |
Yuri Victorovich (yuri) |
science/tinker: update 8.10.5 → 8.11.1
Reported by: portscout |
8.10.5_1
19 Jul 2023 18:26:05
|
Yuri Victorovich (yuri) |
science/tinker: Fix build on non-Intel architectures
* add NATIVE option
* rename option SSE into SIMD and not make it default
Reported by: fallout |
8.10.5
07 Jun 2023 04:45:24
|
Yuri Victorovich (yuri) |
science/tinker: Update 8.10.2 → 8.10.5
Reported by: portscout |
8.10.2_2
23 Apr 2023 09:09:58
|
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
07 Sep 2022 21:58:51
|
Stefan Eßer (se) |
Remove WWW entries moved into port Makefiles
Commit b7f05445c00f has added WWW entries to port Makefiles based on
WWW: lines in pkg-descr files.
This commit removes the WWW: lines of moved-over URLs from these
pkg-descr files.
Approved by: portmgr (tcberner) |
8.10.2_1
07 Sep 2022 21:10:59
|
Stefan Eßer (se) |
Add WWW entries to port Makefiles
It has been common practice to have one or more URLs at the end of the
ports' pkg-descr files, one per line and prefixed with "WWW:". These
URLs should point at a project website or other relevant resources.
Access to these URLs required processing of the pkg-descr files, and
they have often become stale over time. If more than one such URL was
present in a pkg-descr file, only the first one was tarnsfered into
the port INDEX, but for many ports only the last line did contain the
port specific URL to further information.
There have been several proposals to make a project URL available as
a macro in the ports' Makefiles, over time.
(Only the first 15 lines of the commit message are shown above  ) |
8.10.2_1
20 Jul 2022 14:22:51
|
Tobias C. Berner (tcberner) |
science: remove 'Created by' lines
A big Thank You to the original contributors of these ports:
* Andreas Fehlner <fehlner@gmx.de>
* Brad Huntting <huntting@glarp.com>
* Chao Shin <quakelee@cn.FreeBSD.org>
* Cheng-Lung Sung <clsung@FreeBSD.org>
* Chia-Hsing Yu <me@davidyu.org>
* Chris Rees <utisoft@gmail.com>
* David Naylor <dbn@FreeBSD.org>
* Dmitry Sivachenko <demon@FreeBSD.org>
* Ed Schouten <ed@FreeBSD.org>
* Eric Freeman <freebsdports@chillibear.com>
* Erik B Knudsen (Only the first 15 lines of the commit message are shown above ) |
8.10.2_1
22 May 2022 00:10:44
|
Piotr Kubaj (pkubaj) |
science/tinker: don't set -march=native |
8.10.2
14 Apr 2022 17:08:20
|
Yuri Victorovich (yuri) |
science/tinker: Update 8.10.1 -> 8.10.2
Reported by: portscout |
8.10.1
11 Oct 2021 15:51:36
|
Yuri Victorovich (yuri) |
science/tinker: Update 8.9.5 -> 8.10.1
Reported by: portscout |
8.9.5
02 Oct 2021 23:00:01
|
Yuri Victorovich (yuri) |
science/tinker: Update 8.9.4 -> 8.9.5
Reported by: portscout |
8.9.4
07 Sep 2021 18:22:02
|
Yuri Victorovich (yuri) |
science/tinker: Update 8.9.3 -> 8.9.4
Reported by: tinker |
8.9.3
15 Aug 2021 19:33:59
|
Yuri Victorovich (yuri) |
science/tinker: Update 8.9.2 -> 8.9.3
Reported by: portscout |
8.9.2
05 Aug 2021 22:16:23
|
Yuri Victorovich (yuri) |
science/tinker: Update 8.9.1 -> 8.9.2
Reported by: portscout |
8.9.1
13 May 2021 23:42:00
|
Yuri Victorovich (yuri) |
science/tinker: Update 8.8.3 -> 8.9.1
Reported by: portscout |
8.8.3
06 Apr 2021 14:31:07
|
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
8.8.3
10 Nov 2020 22:54:53
 |
yuri |
science/tinker: Update 8.8.1 -> 8.8.3 |
8.8.1
17 Aug 2020 20:37:47
|
yuri |
science/tinker: Update 8.7.2 -> 8.8.1
Reported by: portscout |
8.7.2
29 Nov 2019 07:44:52
|
yuri |
science/tinker: Update 8.7.1 -> 8.7.2
Reported by: portscout |
8.7.1_1
14 Aug 2019 12:16:13
|
mat |
Convert to UCL & cleanup pkg-message (categories s) |
8.7.1_1
26 Jul 2019 20:46:57
|
gerald |
Bump PORTREVISION for ports depending on the canonical version of GCC
as defined in Mk/bsd.default-versions.mk which has moved from GCC 8.3
to GCC 9.1 under most circumstances now after revision 507371.
This includes ports
- with USE_GCC=yes or USE_GCC=any,
- with USES=fortran,
- using Mk/bsd.octave.mk which in turn features USES=fortran, and
- with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, everything INDEX-11 shows with a dependency on lang/gcc9 now.
PR: 238330 |
8.7.1
14 Jul 2019 00:34:53
|
yuri |
science/tinker: Update 8.6.1 -> 8.7.1
Reported by: portscout |
8.6.1_1
22 Apr 2019 13:16:34
|
gerald |
Related to revision 499061 bump ports with USES=fortran to have them
benefit from the improved situation where libgcc_s is only used when
absolutely necessary.
Suggested by: tijl |
8.6.1
16 Mar 2019 15:50:33
|
yuri |
science/tinker: Update 8.5.3 -> 8.6.1
Move Makefile sections to proper places to pet portlint.
Reported by: portscout |
8.5.3
16 Jan 2019 04:36:12
|
yuri |
science/tinker: Update 8.4.4 -> 8.5.3
Reported by: portscout |
8.4.4_2
21 Dec 2018 01:11:00
|
yuri |
science/tinker: Fix build on non-Intel architectures by adding SSE flags based
on architecture
PR: 234223
Reported by: Piotr Kubaj <pkubaj@anongoth.pl> |
8.4.4_1
12 Dec 2018 01:35:36
|
gerald |
Bump PORTREVISION for ports depending on the canonical version of GCC
defined via Mk/bsd.default-versions.mk which has moved from GCC 7.4 t
GCC 8.2 under most circumstances.
This includes ports
- with USE_GCC=yes or USE_GCC=any,
- with USES=fortran,
- using Mk/bsd.octave.mk which in turn features USES=fortran, and
- with USES=compiler specifying openmp, nestedfct, c11, c++0x, c++11-lang,
c++11-lib, c++14-lang, c++17-lang, or gcc-c++11-lib
plus, as a double check, everything INDEX-11 showed depending on lang/gcc7.
PR: 231590 |
8.4.4
07 Oct 2018 00:19:22
|
yuri |
biology/tinker: Update 7.1.3 -> 8.4.4; Move to science/
Port changes:
* Take maintainership
* Implement the 'benchmarks' target, and stop installing benchmarks
* Add USES=gmake
* Update license
* Change MASTER_SITES and WWW to https
* Silence some commands |
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