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Port details
packmol Pack molecules in defined regions of space
18.169_1 science on this many watch lists=0 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 18.169_1Version of this port present on the latest quarterly branch.
Maintainer: jwb@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2019-09-22 19:06:51
Last Update: 2023-04-23 09:09:58
Commit Hash: 8d3e020
License: MIT
WWW:
http://m3g.iqm.unicamp.br/packmol/home.shtml
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.
Homepage    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-18.169_1/catalog.mk
  3. /usr/local/share/licenses/packmol-18.169_1/LICENSE
  4. /usr/local/share/licenses/packmol-18.169_1/MIT
Collapse this list.
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 = 1563043114 SHA256 (mcubeg-packmol-18.169_GH0.tar.gz) = 8acf2cbc742a609e763eb00cae55aecd09af2edb4cc4e931706e2f06ac380de9 SIZE (mcubeg-packmol-18.169_GH0.tar.gz) = 169840

Packages (timestamps in pop-ups are UTC):
packmol
ABIaarch64amd64armv6armv7i386powerpcpowerpc64powerpc64le
FreeBSD:13:latest18.169_118.169_118.16918.169_118.169_1-18.169-
FreeBSD:13:quarterly18.169_118.169_1-18.169_118.169_1-18.169_118.169_1
FreeBSD:14:latest18.169_118.169_1-18.169_118.169_1---
FreeBSD:14:quarterly18.169_118.169_1-18.169_118.169_1-18.169_118.169_1
FreeBSD:15:latest18.169_118.169_1n/a18.169_1n/a-18.169_118.169_1
FreeBSD:15:quarterly--n/a-n/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. gfortran12 : lang/gcc12
  3. as : devel/binutils
Runtime dependencies:
  1. gfortran12 : lang/gcc12
There are no ports dependent upon this port

Configuration Options:
No options to configure
Options name:
science_packmol
USES:
cmake:noninja fortran
pkg-message:
For install:
To ensure continued development of PACKMOL, please register at http://m3g.iqm.unicamp.br/packmol/download.shtml
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/mcubeg/packmol/tar.gz/18.169?dummy=/
Collapse this list.

Number of commits found: 6

Commit History - (may be incomplete: for full details, see links to repositories near top of page)
CommitCreditsLog message
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: 6