| Port details |
- mopac Semi-empirical (MNDO, etc.) molecular orbital calculation
- 23.2.2,1 science
 =2      23.1.2,1Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2022-06-19 07:54:12
- Last Update: 2025-10-31 09:05:28
- Commit Hash: cd69fb8
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py311-PyOpenGL, p5-Sane
- License: APACHE20
- WWW:
- http://openmopac.net
- https://github.com/openmopac/mopac
- Description:
- MOPAC (Molecular Orbital PACkage) is a powerful computational chemistry
software that employs semi-empirical quantum chemistry methods to study
molecular and periodic structures. Developed since 1981, it offers a
balance of computational speed and accuracy for a wide range of
applications in chemistry and materials science.
MOPAC implements various semi-empirical models, including AM1, PM3, PM6,
and PM7. It performs geometry optimization, transition-state optimization,
and vibrational analysis. Key features include solvation models (COSMO),
support for periodic boundary conditions, and the unique MOZYME solver
for rapid calculations on large systems, such as biomolecules and
materials. MOPAC also calculates gas-phase thermodynamics, molecular
polarizability, and integrates with numerous graphical user interfaces
and other chemistry software. It supports 83 elements of the periodic table.
  ¦  ¦  ¦  ¦ 
- 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/mopac/ && make install clean
- To add the package, run one of these commands:
- pkg install science/mopac
- pkg install mopac
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: mopac
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1761900683
SHA256 (openmopac-mopac-v23.2.2_GH0.tar.gz) = d64525fa4ae709b214ecbd5981b7e8a2928e2f1a91d85a253e8dbd04616e14cd
SIZE (openmopac-mopac-v23.2.2_GH0.tar.gz) = 16947337
Packages (timestamps in pop-ups are UTC):
- Dependencies
- NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
- Build dependencies:
-
- cmake : devel/cmake-core
- gfortran13 : lang/gcc13
- as : devel/binutils
- Test dependencies:
-
- py311-numpy>=1.16,1<1.27,1 : math/py-numpy@py311
- python3.11 : lang/python311
- Runtime dependencies:
-
- gfortran13 : lang/gcc13
- Library dependencies:
-
- libopenblas.so : math/openblas
- There are no ports dependent upon this port
Configuration Options:- No options to configure
- Options name:
- science_mopac
- USES:
- blaslapack:openblas cmake:testing fortran python:test
- 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 |
|---|
23.2.2,1
31 Oct 2025 09:05:28
 |
Yuri Victorovich (yuri) |
science/mopac: update 23.1.2 → 23.2.2
Reported by: portscout |
23.1.2,1
29 Sep 2025 07:42:42
|
Yuri Victorovich (yuri) |
science/mopac: Improve pkg-descr |
23.1.2,1
18 Feb 2025 10:29:02
|
Yuri Victorovich (yuri) |
science/mopac: update 23.1.0 → 23.1.2
Reported by: portscout |
23.1.0,1
07 Feb 2025 11:37:30
|
Yuri Victorovich (yuri) |
science/mopac: update 23.0.3 → 23.1.0
Reported by: portscout |
23.0.3_1,1
28 Jan 2025 16:42:55
|
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after OpenBLAS upgrade
Remark: this souldn’t be necessary, because the version of the library is the
same, but due to many changes between these releases, it is safer this way.
PR: 284314 |
23.0.3,1
06 Dec 2024 02:11:38
|
Yuri Victorovich (yuri) |
science/mopac: update 23.0.2 → 23.0.3
Reported by: portscout |
23.0.2,1
19 Nov 2024 09:29:09
|
Yuri Victorovich (yuri) |
science/mopac: update 23.0.1 → 23.0.2
Reported by: portscout |
23.0.1,1
12 Nov 2024 08:32:35
|
Yuri Victorovich (yuri) |
science/mopac: update 23.0.0 → 23.0.1
Reported by: portscout |
23.0.0,1
11 Nov 2024 11:21:01
|
Yuri Victorovich (yuri) |
science/mopac: update 22.1.1 → 23.0.0
Reported by: portscout |
22.1.1_1,1
21 Jun 2024 17:49:24
|
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade to OpenBLAS |
22.1.1,1
30 Jan 2024 08:56:27
|
Yuri Victorovich (yuri) |
science/mopac: update 22.1.0 → 22.1.1
Reported by: portscout |
22.1.0,1
29 Dec 2023 04:48:02
|
Yuri Victorovich (yuri) |
science/mopac: update 22.0.6 → 22.1.0
Reported by: portscout |
22.0.6_2,1
12 Dec 2023 19:03:50
|
Thierry Thomas (thierry) |
*/*: bump PORTREVISION after the upgrade of OpenBLAS
PR: 273219 |
22.0.6_1,1
23 Apr 2023 09:09:58
|
Gerald Pfeifer (gerald) |
*: Bump PORTREVISIONs for math/mpc update to 1.3.1 |
22.0.6,1
19 Dec 2022 01:54:31
|
Yuri Victorovich (yuri) |
science/mopac: Update 22.0.5 -> 22.0.6
Reported by: portscout |
22.0.5,1
15 Nov 2022 04:49:15
|
Yuri Victorovich (yuri) |
science/mopac: Update 7.1.15 -> 22.0.5 |
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) |
7.1.15_8,1
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  ) |
7.1.15_8,1
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 ) |
7.1.15_8,1
19 Jun 2022 07:52:28
|
Yuri Victorovich (yuri) |
biology/mopac: Move to science/mopac; Add TIMESTAMP to distinfo; Take
maintainership |
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