| Port details |
- tinker General purpose molecular modelling package
- 25.6.3 science
 =2      25.5.2Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2018-10-07 00:19:53
- Last Update: 2025-12-15 09:19:33
- Commit Hash: faaada1
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py311-PyOpenGL, p5-Sane
- License: TINKER
- WWW:
- https://dasher.wustl.edu/tinker/
- https://github.com/TinkerTools/tinker
- Description:
- Tinker is a comprehensive and versatile molecular modeling software package
designed for molecular mechanics and dynamics simulations, with specialized
capabilities for biopolymers. It provides a complete set of tools for
energy minimizations, geometry calculations, simulated annealing, and
molecular dynamics.
Tinker supports a wide array of force fields, including Amber, CHARMM,
OPLS, MMFF94, and advanced polarizable models like AMOEBA. It features
atomic multipole-based electrostatics with explicit dipole polarizability
and various continuum solvation treatments. The software offers efficient
truncated Newton optimization, normal mode vibrational analysis, and
free energy calculations. It also includes algorithms for conformational
searches, global optimization, and transition state location. Written in
Fortran 95, Tinker is a modular and extensible system, widely used in
computational chemistry and biophysics.
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - USE_RC_SUBR (Service Scripts)
- no SUBR information found for this port
- 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 = 1765785371
SHA256 (TinkerTools-tinker-v25.6.3_GH0.tar.gz) = 83429088ba19ecd1673e53fc29c60d1787ed5c4f3ec1a4e381bfa48ab55c4af3
SIZE (TinkerTools-tinker-v25.6.3_GH0.tar.gz) = 34581826
No package information for this port in our database- Sometimes this happens. Not all ports have packages. Perhaps there is a build error. Check the fallout link:
- 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-25.6.3:
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 |
|---|
25.6.3
15 Dec 2025 09:19:33
 |
Yuri Victorovich (yuri) |
science/tinker: update 25.5.4 → 25.6.3
Reported by: portscout |
25.5.4
23 Nov 2025 20:09:00
|
Yuri Victorovich (yuri) |
science/tinker: update 25.5.2 → 25.5.4 |
25.5.2
10 Oct 2025 16:43:33
|
Yuri Victorovich (yuri) |
science/tinker: update 25.5 → 25.5.2 |
25.5_1
03 Oct 2025 09:27:33
|
Yuri Victorovich (yuri) |
science/tinker: Fix fetch: tarball was re-rolled |
25.5
29 Sep 2025 07:36:18
|
Yuri Victorovich (yuri) |
science/tinker: Improve pkg-descr |
25.5
19 Sep 2025 07:36:19
|
Yuri Victorovich (yuri) |
science/tinker: update 25.3 → 25.5 |
25.3_1
23 Aug 2025 08:22:30
|
Yuri Victorovich (yuri) |
science/tinker: Release was re-rolled |
25.3
28 Jul 2025 04:26:17
|
Yuri Victorovich (yuri) |
science/tinker: update 8.11.3 → 25.3 |
8.11.3_1
22 Feb 2025 20:18:40
|
Yuri Victorovich (yuri) |
science/tinker: Not broken: fetch works now |
8.11.3_1
22 Feb 2025 01:06:52
|
Yuri Victorovich (yuri) |
science/tinker: Broken |
8.11.3_1
24 Jun 2024 01:32:59
|
Yuri Victorovich (yuri) |
science/tinker: Fix fetch: the release was re-rolled
Reported by: fallout |
8.11.3
21 Jun 2024 09:43:01
|
Yuri Victorovich (yuri) |
science/tinker: update 8.11.2 → 8.11.3
Reported by: portscout |
8.11.2_3
19 May 2024 18:45:05
|
Yuri Victorovich (yuri) |
science/tinker: Release was re-rolled yet again |
8.11.2_2
13 May 2024 15:04:56
|
Yuri Victorovich (yuri) |
science/tinker: Release was re-rolled again
Reported by: fallout |
8.11.2_1
08 May 2024 20:17:04
|
Yuri Victorovich (yuri) |
science/tinker: Release was re-rolled as confirmed by the upstream |
8.11.2
06 May 2024 08:23:25
|
Yuri Victorovich (yuri) |
science/tinker: update 8.11.1 → 8.11.2 |
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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