| Port details |
- packmol Creates Initial Configurations for Molecular Dynamics Simulations
- 21.0.2 science
 =2      21.0.0Version of this port present on the latest quarterly branch. - Maintainer: eduardo@FreeBSD.org
- Port Added: 2019-09-22 19:06:51
- Last Update: 2025-05-05 21:53:29
- Commit Hash: 477ee2b
- 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.
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - 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 = 1746477631
SHA256 (m3g-packmol-v21.0.2_GH0.tar.gz) = 4b63d73400f7702347d9ff0cc4d0009be5a752afa7af00ad612554e8918f00fd
SIZE (m3g-packmol-v21.0.2_GH0.tar.gz) = 630603
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
- Runtime dependencies:
-
- 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:
|
| Commit History - (may be incomplete: for full details, see links to repositories near top of page) |
| Commit | Credits | Log message |
|---|
21.0.2
05 May 2025 21:53:29
 |
Nuno Teixeira (eduardo) |
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
|
Nuno Teixeira (eduardo) |
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
|
Nuno Teixeira (eduardo) |
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
|
Nuno Teixeira (eduardo) |
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
|
Wen Heping (wen) |
science/packmol: Update to 20.16.0 |
20.15.3
21 Jan 2025 15:14:48
|
Jason W. Bacon (jwb) |
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
|
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) |
18.169
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  ) |
18.169
07 Apr 2021 08:09:01
|
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
18.169
06 Apr 2021 14:31:07
|
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
18.169
22 Sep 2019 19:06:44
 |
jwb |
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. |
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