Port details on branch 2022Q2 |
- libmsym Molecular point group symmetry library
- 0.2.3 science =0 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
- 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:
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