Port details on branch 2022Q3 |
- phonopy Package for phonon calculations at harmonic and quasi-harmonic levels
- 2.22.0 science =0 2.21.0Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2021-08-05 17:12:46
- Last Update: 2024-03-20 08:59:50
- Commit Hash: 6d94e5b
- Also Listed In: python
- License: BSD3CLAUSE
- WWW:
- https://phonopy.github.io/phonopy/
- Description:
- Phonopy is an open source package for phonon calculations at harmonic and
quasi-harmonic levels.
The following features of phonopy are highlighted:
* Phonon band structure, phonon DOS and partial-DOS
* Phonon thermal properties: Free energy, heat capacity (Cv), and entropy
* Phonon group velocity
* Thermal ellipsoids / Mean square displacements
* Irreducible representations of normal modes
* Dynamic structure factor for INS and IXS
* Non-analytical-term correction: LO-TO splitting (Born effective charges and
dielectric constant are required.)
* Mode Gruneisen parameters
* Quasi-harmonic approximation: Thermal expansion, heat capacity at constant
pressure (Cp),
* Interfaces to calculators: VASP, VASP DFPT, ABINIT, Quantu ESPRESSO, SIESTA,
Elk, FHI-aims, WIEN2k, CRYSTAL
* Python APIs
- ¦ ¦ ¦ ¦
- Manual pages:
- FreshPorts has no man page information for this port.
- pkg-plist: as obtained via:
make generate-plist - Dependency lines:
-
- phonopy>0:science/phonopy
- To install the port:
- cd /usr/ports/science/phonopy/ && make install clean
- To add the package, run one of these commands:
- pkg install science/phonopy
- pkg install phonopy
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.- PKGNAME: phonopy
- Flavors: there is no flavor information for this port.
- distinfo:
- TIMESTAMP = 1710909751
SHA256 (phonopy-phonopy-v2.22.0_GH0.tar.gz) = 2754644d16f49679093057abef80a7a6b7d90a4566b68bda56f3e0e04e563687
SIZE (phonopy-phonopy-v2.22.0_GH0.tar.gz) = 6808967
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
- There are no ports dependent upon this port
Configuration Options:
- No options to configure
- Options name:
- science_phonopy
- USES:
- cmake
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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