science/libmsym 0.2.3
Molecular point group symmetry library
- Repository
- FreeBSD ports
- Maintainer
- [email protected]
- Last update
- Commit
70f20d6d43- License
- MIT
- Categories
- science
- Package size
- 89.0 KiB, 196.7 KiB installed
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.
Install
As a binary package — by origin, or by package name:
pkg install science/libmsym
pkg install libmsymFrom the ports tree:
cd /usr/ports/science/libmsym/ && make install cleanTo depend on this port in another port's Makefile:
RUN_DEPENDS= libmsym>0:science/libmsym
LIB_DEPENDS= libmsym.so:science/libmsymPackages
The version each package repository carries. “-” means the repository builds no package of it, “n/a” that there is no such repository.
| Repository | aarch64 | amd64 | armv6 | armv7 | i386 |
|---|---|---|---|---|---|
| FreeBSD:14:latest | 0.2.3 | 0.2.3 | 0.2.3 | 0.2.3 | 0.2.3 |
| FreeBSD:14:quarterly | 0.2.3 | 0.2.3 | n/a | 0.2.3 | 0.2.3 |
| FreeBSD:15:latest | 0.2.3 | 0.2.3 | n/a | 0.2.3 | 0.2.3 |
| FreeBSD:15:quarterly | 0.2.3 | 0.2.3 | n/a | n/a | n/a |
| FreeBSD:16:latest | 0.2.3 | 0.2.3 | n/a | n/a | n/a |
| FreeBSD:16:quarterly | n/a | n/a | n/a | n/a | n/a |
Dependencies
The Makefile names none itself; they come from USES and USE_*.
The full lists below include those, and their dependencies in turn.
All build dependencies 15
Configuration
No options to configure.
- USES
- cmake
- Service scripts
- none
Files
pkg-plist 10
- include/libmsym/msym.h
- include/libmsym/msym_EXPORTS.h
- include/libmsym/msym_error.h
- lib/cmake/libmsym/libmsymConfig.cmake
- lib/cmake/libmsym/libmsymConfigVersion.cmake
- lib/cmake/libmsym/libmsymTargets-.cmake
- lib/cmake/libmsym/libmsymTargets.cmake
- lib/libmsym.so
- lib/libmsym.so.0.2
- lib/libmsym.so.0.2.4
distinfo 1
| File | Size | SHA256 |
|---|---|---|
| mcodev31-libmsym-v0.2.3-paper_GH0.tar.gz | 87410 | 3741ebe163cf40696570d6b62e4834ca587d43dcac9de713994cc5e2960fb8fd |