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Port details
mopac Semi-empirical (MNDO, etc.) molecular orbital calculation
23.0.3_1,1 science on this many watch lists=2 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout 23.0.3,1Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2022-06-19 07:54:12
Last Update: 2025-01-28 16:42:55
Commit Hash: e54e2c6
People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
License: GPLv3
WWW:
http://openmopac.net/
Description:
MOPAC7, semi-empirical (MNDO, AM1, PM3, MINDO/3) quantum-chemical calculation written by James J. P. Stewart and co-workers.
Homepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb - no subversion history for this port

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (10 items)
Collapse this list.
  1. bin/mopac
  2. bin/mopac-makpol
  3. bin/mopac-param
  4. include/mopac.h
  5. lib/libmopac.so
  6. lib/libmopac.so.2
  7. @ldconfig
  8. /usr/local/share/licenses/mopac-23.0.3_1,1/catalog.mk
  9. /usr/local/share/licenses/mopac-23.0.3_1,1/LICENSE
  10. /usr/local/share/licenses/mopac-23.0.3_1,1/GPLv3
Collapse this list.
Dependency lines:
  • mopac>0:science/mopac
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 = 1733445667 SHA256 (openmopac-mopac-v23.0.3_GH0.tar.gz) = d7a2e9dda36a6886ac8452eb8b30391295a017885e7ceac40dee496c4031e105 SIZE (openmopac-mopac-v23.0.3_GH0.tar.gz) = 16983494
Packages (timestamps in pop-ups are UTC):
mopac
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest23.0.3,123.0.3,1-23.0.3,123.0.3,1---
FreeBSD:13:quarterly23.0.3,123.0.3,1-22.1.1_1,123.0.3,1-22.1.0,1-
FreeBSD:14:latest23.0.3,123.0.3,1-23.0.3,123.0.3,1---
FreeBSD:14:quarterly23.0.3,123.0.3,1-23.0.3,123.0.3,1-22.1.0,1-
FreeBSD:15:latest23.0.3,123.0.3,1n/a23.0.3,1n/a-22.1.1,122.1.1,1
Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. cmake : devel/cmake-core
  2. gfortran13 : lang/gcc13
  3. as : devel/binutils
Test dependencies:
  1. py311-numpy>=1.16,1<1.27,1 : math/py-numpy@py311
  2. python3.11 : lang/python311
Runtime dependencies:
  1. gfortran13 : lang/gcc13
Library dependencies:
  1. 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:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/openmopac/mopac/tar.gz/v23.0.3?dummy=/
Collapse this list.
Port Moves
  • port moved here from biology/mopac on 2022-06-19
    REASON: Move to a proper category

Number of commits found: 16

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
23.0.3_1,1
28 Jan 2025 16:42:55
commit hash: e54e2c695bbccea73e70ce5bf689928053632492commit hash: e54e2c695bbccea73e70ce5bf689928053632492commit hash: e54e2c695bbccea73e70ce5bf689928053632492commit hash: e54e2c695bbccea73e70ce5bf689928053632492 files touched by this commit		 Thierry Thomas (thierry) search for other commits by this committer 
*/*: 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
commit hash: fa48e8ce1dd2c181a925d47b728bc6bd7c252f8fcommit hash: fa48e8ce1dd2c181a925d47b728bc6bd7c252f8fcommit hash: fa48e8ce1dd2c181a925d47b728bc6bd7c252f8fcommit hash: fa48e8ce1dd2c181a925d47b728bc6bd7c252f8f files touched by this commit		 Yuri Victorovich (yuri) search for other commits by this committer 
science/mopac: update 23.0.2 → 23.0.3

Reported by:	portscout
23.0.2,1
19 Nov 2024 09:29:09
commit hash: 92afb06d26c949252bc7b50cb62b311205592b5dcommit hash: 92afb06d26c949252bc7b50cb62b311205592b5dcommit hash: 92afb06d26c949252bc7b50cb62b311205592b5dcommit hash: 92afb06d26c949252bc7b50cb62b311205592b5d files touched by this commit		 Yuri Victorovich (yuri) search for other commits by this committer 
science/mopac: update 23.0.1 → 23.0.2

Reported by:	portscout
23.0.1,1
12 Nov 2024 08:32:35
commit hash: 0f5d41146f67b2311bad3a7aa5f57d6d24852aa0commit hash: 0f5d41146f67b2311bad3a7aa5f57d6d24852aa0commit hash: 0f5d41146f67b2311bad3a7aa5f57d6d24852aa0commit hash: 0f5d41146f67b2311bad3a7aa5f57d6d24852aa0 files touched by this commit		 Yuri Victorovich (yuri) search for other commits by this committer 
science/mopac: update 23.0.0 → 23.0.1

Reported by:	portscout
23.0.0,1
11 Nov 2024 11:21:01
commit hash: 1e341451e1d9202e39c4d9a702df7edbef414ecfcommit hash: 1e341451e1d9202e39c4d9a702df7edbef414ecfcommit hash: 1e341451e1d9202e39c4d9a702df7edbef414ecfcommit hash: 1e341451e1d9202e39c4d9a702df7edbef414ecf files touched by this commit		 Yuri Victorovich (yuri) search for other commits by this committer 
science/mopac: update 22.1.1 → 23.0.0

Reported by:	portscout
22.1.1_1,1
21 Jun 2024 17:49:24
commit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fecommit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fecommit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fecommit hash: e2cd1133e68c54606b2b5e0c7b4dee0532a926fe files touched by this commit		 Thierry Thomas (thierry) search for other commits by this committer 
*/*: bump PORTREVISION after the upgrade to OpenBLAS
22.1.1,1
30 Jan 2024 08:56:27
commit hash: f7fc997add65ca01b41b642d3124af2756130318commit hash: f7fc997add65ca01b41b642d3124af2756130318commit hash: f7fc997add65ca01b41b642d3124af2756130318commit hash: f7fc997add65ca01b41b642d3124af2756130318 files touched by this commit		 Yuri Victorovich (yuri) search for other commits by this committer 
science/mopac: update 22.1.0 → 22.1.1

Reported by:	portscout
22.1.0,1
29 Dec 2023 04:48:02
commit hash: a45a17df6fed6abf26daa89df8dc94c5657f5ea3commit hash: a45a17df6fed6abf26daa89df8dc94c5657f5ea3commit hash: a45a17df6fed6abf26daa89df8dc94c5657f5ea3commit hash: a45a17df6fed6abf26daa89df8dc94c5657f5ea3 files touched by this commit		 Yuri Victorovich (yuri) search for other commits by this committer 
science/mopac: update 22.0.6 → 22.1.0

Reported by:	portscout
22.0.6_2,1
12 Dec 2023 19:03:50
commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0commit hash: ab1713728d621e7b57d276ef27de37a8754e6ee0 files touched by this commit		 Thierry Thomas (thierry) search for other commits by this committer 
*/*: bump PORTREVISION after the upgrade of OpenBLAS

PR:		273219
22.0.6_1,1
23 Apr 2023 09:09:58
commit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5bcommit hash: 8d3e020ed032a8db00208994d0db646de7dc6f5b files touched by this commit		 Gerald Pfeifer (gerald) search for other commits by this committer 
*: Bump PORTREVISIONs for math/mpc update to 1.3.1
22.0.6,1
19 Dec 2022 01:54:31
commit hash: 2ae1a5ab2fed6de5d8c2aa3469c142f6839cfb07commit hash: 2ae1a5ab2fed6de5d8c2aa3469c142f6839cfb07commit hash: 2ae1a5ab2fed6de5d8c2aa3469c142f6839cfb07commit hash: 2ae1a5ab2fed6de5d8c2aa3469c142f6839cfb07 files touched by this commit		 Yuri Victorovich (yuri) search for other commits by this committer 
science/mopac: Update 22.0.5 -> 22.0.6

Reported by:	portscout
22.0.5,1
15 Nov 2022 04:49:15
commit hash: b5f6999039f41dd29c9b7c4f7ab4294926c3ef30commit hash: b5f6999039f41dd29c9b7c4f7ab4294926c3ef30commit hash: b5f6999039f41dd29c9b7c4f7ab4294926c3ef30commit hash: b5f6999039f41dd29c9b7c4f7ab4294926c3ef30 files touched by this commit		 Yuri Victorovich (yuri) search for other commits by this committer 
science/mopac: Update 7.1.15 -> 22.0.5
07 Sep 2022 21:58:51
commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4commit hash: fb16dfecae4a6efac9f3a78e0b759fb7a3c53de4 files touched by this commit		 Stefan Eßer (se) search for other commits by this committer 
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
commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52commit hash: b7f05445c00f2625aa19b4154ebcbce5ed2daa52 files touched by this commit		 Stefan Eßer (se) search for other commits by this committer 
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 View all of this commit message)
7.1.15_8,1
20 Jul 2022 14:22:51
commit hash: 46196047a4df0f85aaee442799209fdaacf03361commit hash: 46196047a4df0f85aaee442799209fdaacf03361commit hash: 46196047a4df0f85aaee442799209fdaacf03361commit hash: 46196047a4df0f85aaee442799209fdaacf03361 files touched by this commit		 Tobias C. Berner (tcberner) search for other commits by this committer 
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 View all of this commit message)
7.1.15_8,1
19 Jun 2022 07:52:28
commit hash: db283c306304a61abbea65249f40fb06c1393232commit hash: db283c306304a61abbea65249f40fb06c1393232commit hash: db283c306304a61abbea65249f40fb06c1393232commit hash: db283c306304a61abbea65249f40fb06c1393232 files touched by this commit		 Yuri Victorovich (yuri) search for other commits by this committer 
biology/mopac: Move to science/mopac; Add TIMESTAMP to distinfo; Take
maintainership

Number of commits found: 16
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