notbugAs an Amazon Associate I earn from qualifying purchases.
Want a good read? Try FreeBSD Mastery: Jails (IT Mastery Book 15)Want a good monitor light? See my photosAll times are UTC		 Ukraine
Port details
packmol Creates Initial Configurations for Molecular Dynamics Simulations
21.1.3 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 21.1.0Version of this port present on the latest quarterly branch.
Maintainer: eduardo@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2019-09-22 19:06:51
Last Update: 2025-11-20 07:48:04
Commit Hash: b870f27
People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py311-PyOpenGL, p5-Sane
License: MIT
WWW:
https://m3g.github.io/packmol/
https://github.com/m3g/packmol/
Description:
PACKMOL creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. The packing guarantees that short range repulsive interactions do not disrupt the simulations. The package is compatible with input files of PDB, TINKER, XYZ and MOLDY formats. See also: ComplexMixtures.jl: A powerful package to understand solvation structures in complex solutions. CellListMap.jl: Efficient and customizable cell list data structure for molecular simulations and customizable simulation analysis.
HomepageHomepage    cgit ¦ Codeberg ¦ GitHub ¦ GitLab ¦ SVNWeb

Manual pages:
FreshPorts has no man page information for this port.
pkg-plist: as obtained via: make generate-plist
Expand this list (4 items)
Collapse this list.
  1. bin/packmol
  2. /usr/local/share/licenses/packmol-21.1.3/catalog.mk
  3. /usr/local/share/licenses/packmol-21.1.3/LICENSE
  4. /usr/local/share/licenses/packmol-21.1.3/MIT
Collapse this list.
USE_RC_SUBR (Service Scripts)
  • no SUBR information found for this port
Dependency lines:
  • packmol>0:science/packmol
To install the port:
cd /usr/ports/science/packmol/ && make install clean
To add the package, run one of these commands:
  • pkg install science/packmol
  • pkg install packmol
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.
PKGNAME: packmol
Flavors: there is no flavor information for this port.
distinfo:
TIMESTAMP = 1763590917 SHA256 (m3g-packmol-v21.1.3_GH0.tar.gz) = 21a22e4e3f183e2c594c2e1d85cd7c16a95a8c609b36fc28d653f6c2c2d54c0c SIZE (m3g-packmol-v21.1.3_GH0.tar.gz) = 637489
Packages (timestamps in pop-ups are UTC):
packmol
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest21.1.121.1.318.16921.1.021.1.3n/an/an/a
FreeBSD:13:quarterly21.1.021.1.0-21.0.221.1.0n/an/an/a
FreeBSD:14:latest21.1.121.1.3-21.1.021.1.3---
FreeBSD:14:quarterly21.1.021.1.0-21.0.221.1.0-18.169_118.169_1
FreeBSD:15:latest21.1.121.1.1n/a21.0.4n/an/a18.169_118.169_1
FreeBSD:15:quarterly21.1.021.1.0n/a-n/an/a--
FreeBSD:16:latest21.1.121.1.3n/a-n/an/a--
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
Runtime dependencies:
  1. gfortran13 : lang/gcc13
There are no ports dependent upon this port
Configuration Options:
No options to configure
Options name:
science_packmol
USES:
cmake:noninja fortran
FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/m3g/packmol/tar.gz/v21.1.3?dummy=/
Collapse this list.

Number of commits found: 17

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
21.1.3
20 Nov 2025 07:48:04
commit hash: b870f274f1a08da64405e0cbfae646b2cde4a861commit hash: b870f274f1a08da64405e0cbfae646b2cde4a861commit hash: b870f274f1a08da64405e0cbfae646b2cde4a861commit hash: b870f274f1a08da64405e0cbfae646b2cde4a861 files touched by this commit		 Nuno Teixeira (eduardo) search for other commits by this committer 
science/packmol: Update to 21.1.3

ChangeLog:
	https://github.com/m3g/packmol/releases/tag/v21.1.3
	https://github.com/m3g/packmol/releases/tag/v21.1.2
21.1.1
02 Oct 2025 13:01:42
commit hash: 60bfd4fcdb1e1e71228b5ca8032a42c8283c5190commit hash: 60bfd4fcdb1e1e71228b5ca8032a42c8283c5190commit hash: 60bfd4fcdb1e1e71228b5ca8032a42c8283c5190commit hash: 60bfd4fcdb1e1e71228b5ca8032a42c8283c5190 files touched by this commit		 Nuno Teixeira (eduardo) search for other commits by this committer 
science/packmol: Update to 21.1.1

ChangeLog: https://github.com/m3g/packmol/releases/tag/v21.1.1
21.1.0
20 Aug 2025 15:36:17
commit hash: f0464afc36b2781168e03c1991d2f4e0c5e68698commit hash: f0464afc36b2781168e03c1991d2f4e0c5e68698commit hash: f0464afc36b2781168e03c1991d2f4e0c5e68698commit hash: f0464afc36b2781168e03c1991d2f4e0c5e68698 files touched by this commit		 Nuno Teixeira (eduardo) search for other commits by this committer 
science/packmol: Update to 21.1.0

ChangeLog: https://github.com/m3g/packmol/releases/tag/v21.1.0
21.0.4
12 Jul 2025 10:47:34
commit hash: f426885c35a27fa223892bc66ea3b18dc1d9def7commit hash: f426885c35a27fa223892bc66ea3b18dc1d9def7commit hash: f426885c35a27fa223892bc66ea3b18dc1d9def7commit hash: f426885c35a27fa223892bc66ea3b18dc1d9def7 files touched by this commit		 Nuno Teixeira (eduardo) search for other commits by this committer 
science/packmol: Update to 21.0.4

ChangeLog: https://github.com/m3g/packmol/releases/tag/v21.0.4
21.0.3
11 Jul 2025 21:50:38
commit hash: 74cc6fc623541dc7f8c43baddcec17c80c850865commit hash: 74cc6fc623541dc7f8c43baddcec17c80c850865commit hash: 74cc6fc623541dc7f8c43baddcec17c80c850865commit hash: 74cc6fc623541dc7f8c43baddcec17c80c850865 files touched by this commit		 Nuno Teixeira (eduardo) search for other commits by this committer 
science/packmol: Update to 21.0.3

ChangeLog: https://github.com/m3g/packmol/releases/tag/v21.0.3
21.0.2
05 May 2025 21:53:29
commit hash: 477ee2b705627c404c30994b609aa5b7997cdf47commit hash: 477ee2b705627c404c30994b609aa5b7997cdf47commit hash: 477ee2b705627c404c30994b609aa5b7997cdf47commit hash: 477ee2b705627c404c30994b609aa5b7997cdf47 files touched by this commit		 Nuno Teixeira (eduardo) search for other commits by this committer 
science/packmol: Update to 21.0.2

ChangeLog: https://github.com/m3g/packmol/releases/tag/v21.0.2
21.0.1
31 Mar 2025 20:13:32
commit hash: 540fe9d5a0d0934e351183e749ada3b7960b9fb8commit hash: 540fe9d5a0d0934e351183e749ada3b7960b9fb8commit hash: 540fe9d5a0d0934e351183e749ada3b7960b9fb8commit hash: 540fe9d5a0d0934e351183e749ada3b7960b9fb8 files touched by this commit		 Nuno Teixeira (eduardo) search for other commits by this committer 
science/packmol: Update to 21.0.1

ChangeLog: https://github.com/m3g/packmol/releases/tag/v21.0.1
21.0.0
29 Mar 2025 00:53:52
commit hash: 60da8b3bb4b3bd0ec36a741b8b9f5daedc3a1f2acommit hash: 60da8b3bb4b3bd0ec36a741b8b9f5daedc3a1f2acommit hash: 60da8b3bb4b3bd0ec36a741b8b9f5daedc3a1f2acommit hash: 60da8b3bb4b3bd0ec36a741b8b9f5daedc3a1f2a files touched by this commit		 Nuno Teixeira (eduardo) search for other commits by this committer 
science/packmol: Update to 21.0.0

ChangeLog: https://github.com/m3g/packmol/releases/tag/v21.0.0
20.16.1
21 Mar 2025 23:50:07
commit hash: a19dd4c03cb4d6ac7e62b1ac5a653ead7d625e65commit hash: a19dd4c03cb4d6ac7e62b1ac5a653ead7d625e65commit hash: a19dd4c03cb4d6ac7e62b1ac5a653ead7d625e65commit hash: a19dd4c03cb4d6ac7e62b1ac5a653ead7d625e65 files touched by this commit		 Nuno Teixeira (eduardo) search for other commits by this committer 
science/packmol: Update to 20.16.1

- Take maintainership

ChangeLog: https://github.com/m3g/packmol/releases/tag/v20.16.1
20.16.0
13 Mar 2025 06:17:17
commit hash: 4766a6aebe2b40dc9547e57055d468db820de02dcommit hash: 4766a6aebe2b40dc9547e57055d468db820de02dcommit hash: 4766a6aebe2b40dc9547e57055d468db820de02dcommit hash: 4766a6aebe2b40dc9547e57055d468db820de02d files touched by this commit		 Wen Heping (wen) search for other commits by this committer 
science/packmol: Update to 20.16.0
20.15.3
21 Jan 2025 15:14:48
commit hash: 88365ea6e44a43d62f9fab2dee873eac5a680cb9commit hash: 88365ea6e44a43d62f9fab2dee873eac5a680cb9commit hash: 88365ea6e44a43d62f9fab2dee873eac5a680cb9commit hash: 88365ea6e44a43d62f9fab2dee873eac5a680cb9 files touched by this commit		 Jason W. Bacon (jwb) search for other commits by this committer 
science/packmol: Update to 20.15.3

Numerous fixes and improvements since 18.169
Changes: https://github.com/m3g/packmol/releases
Release maintainership to ports@

PR:             283265
Reported by:    alster@vinterdalen.se
18.169_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
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)
18.169
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)
18.169
07 Apr 2021 08:09:01
commit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455ccommit hash: cf118ccf875508b9a1c570044c93cfcc82bd455c files touched by this commit		 Mathieu Arnold (mat) search for other commits by this committer 
One more small cleanup, forgotten yesterday.
Reported by:	lwhsu
18.169
06 Apr 2021 14:31:07
commit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344ebcommit hash: 305f148f482daf30dcf728039d03d019f88344eb files touched by this commit		 Mathieu Arnold (mat) search for other commits by this committer 
Remove # $FreeBSD$ from Makefiles.
18.169
22 Sep 2019 19:06:44
Revision:512600Original commit files touched by this commit		 jwb search for other commits by this committer 
science/packmol: Pack molecules in defined regions of space

PACKMOL creates an initial point for molecular dynamics simulations by packing
molecules in defined regions of space. The packing guarantees that short range
repulsive interactions do not disrupt the simulations.

Number of commits found: 17
Login
User Login
Create account

Servers and bandwidth provided by
New York Internet, iXsystems, and RootBSD

This site
What is FreshPorts?
About the authors
Issues
FAQ
How big is it?
Security Policy
Privacy
Blog
Contact

Search
Enter Keywords:
 
more...

Latest Vulnerabilities
gnutlsNov 21
chromiumNov 18
ungoogled-chromiumNov 18
openvpnNov 17
openvpn-develNov 17
openvpn-develNov 17
pkcs11-helperNov 17
py-pdfminer.sixNov 17
sudo-rsNov 16
sudo-rsNov 16
postgresql13-clientNov 14
postgresql14-clientNov 14
postgresql15-clientNov 14
postgresql16-clientNov 14
postgresql17-clientNov 14

18 vulnerabilities affecting 274 ports have been reported in the past 14 days

* - modified, not new

All vulnerabilities

Last processed:
2025-11-21 11:10:32 UTC


Ports
Home
Categories
Deleted ports
Sanity Test Failures
Newsfeeds

Statistics
Graphs
NEW Graphs (Javascript)

Calculated hourly:
Port count 33948
Broken 124
Deprecated 258
Ignore 240
Forbidden 0
Restricted 2
No CDROM 1
Vulnerable 35
Expired 9
Set to expire 202
Interactive 0
new 24 hours 3
new 48 hours3
new 7 days13
new fortnight65
new month137
Servers and bandwidth provided by
New York Internet, iXsystems, and RootBSD 		Valid HTML, CSS, and RSS. Copyright © 2000-2025 Dan Langille. All rights reserved.