| Port details |
- libmsym Molecular point group symmetry library
- 0.2.3 science
 =2      0.2.3Version of this port present on the latest quarterly branch. - Maintainer: yuri@FreeBSD.org
- Port Added: 2018-10-16 22:58:43
- Last Update: 2022-09-07 21:58:51
- Commit Hash: fb16dfe
- People watching this port, also watch:: jdictionary, py311-Automat, py311-python-gdsii, py39-PyOpenGL, p5-Sane
- License: MIT
- WWW:
- https://github.com/mcodev31/libmsym
- Description:
- libmsym is a C library dealing with point group symmetry in molecules.
Features:
* Determine, symmetrize and generate molecules of any point group as well
determine/select subgroups. Get symmetrically equivalent elements and
symmetrize translation of any any element in a molecule.
* Generate character tables for any point group (complex characters form
reducible representations)
* Generate SALCs of real spherical harmonics with any angular momentum for
point groups with real characters (Ci, Cs, Cnv, Dn, Dnh, Dnd, Td, O, Oh,
I and Ih), as well as symmetrize orbitals, determine partner functions etc.
  ¦  ¦  ¦  ¦ 
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- libmsym>0:science/libmsym
- To install the port:
- cd /usr/ports/science/libmsym/ && make install clean
- To add the package, run one of these commands:
- pkg install science/libmsym
- pkg install libmsym
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: libmsym
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1539730261
SHA256 (mcodev31-libmsym-v0.2.3-paper_GH0.tar.gz) = 3741ebe163cf40696570d6b62e4834ca587d43dcac9de713994cc5e2960fb8fd
SIZE (mcodev31-libmsym-v0.2.3-paper_GH0.tar.gz) = 87410
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
- ninja : devel/ninja
- This port is required by:
- for Libraries
-
- science/avogadrolibs
- science/v_sim
Configuration Options:- No options to configure
- Options name:
- science_libmsym
- USES:
- cmake
- 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 |
|---|
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) |
0.2.3
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  ) |
0.2.3
07 Apr 2021 08:09:01
|
Mathieu Arnold (mat) |
One more small cleanup, forgotten yesterday.
Reported by: lwhsu |
0.2.3
06 Apr 2021 14:31:07
|
Mathieu Arnold (mat) |
Remove # $FreeBSD$ from Makefiles. |
0.2.3
25 Dec 2018 20:25:40
 |
tcberner |
Change cmake default behaviour to outsource.
Ports that build out of source now simply can use "USES=cmake"
instead of "USES=cmake:outsource". Ports that fail to build
out of source now need to specify "USES=cmake:insource".
I tried to only set insource where explictely needed.
PR: 232038
Exp-run by: antoine |
0.2.3
16 Oct 2018 22:58:17
|
yuri |
New port: science/libmsym: Molecular point group symmetry library |
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