Port details on branch 2022Q2 |
- py-phonopy Package for phonon calculations at harmonic and quasi-harmonic levels
- 2.22.0 science =0 2.20.0Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-09-14 05:01:29
- 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 - There is no configure plist information for this port.
- Dependency lines:
-
- ${PYTHON_PKGNAMEPREFIX}phonopy>0:science/py-phonopy@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/science/py-phonopy/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-phonopy
- pkg install py39-phonopy
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above. NOTE: This is a Python port. Instead of py39-phonopy listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py39-phonopy
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1710909892
SHA256 (phonopy-2.22.0.tar.gz) = f68a7282a091c4a18d428e76712ec189461d9a49c893dca0b9b3e0a7295ccbca
SIZE (phonopy-2.22.0.tar.gz) = 3901351
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:
-
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- py39-h5py>0 : science/py-h5py@py39
- py39-matplotlib>=2.2.2 : math/py-matplotlib@py39
- py39-spglib>0 : science/py-spglib@py39
- py39-yaml>0 : devel/py-yaml@py39
- cython-3.9 : lang/cython@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- Test dependencies:
-
- py39-nose>0 : devel/py-nose@py39
- py39-hiphive>0 : science/py-hiphive@py39
- py39-pytest>=7,1 : devel/py-pytest@py39
- python3.9 : lang/python39
- Runtime dependencies:
-
- py39-numpy>=1.16,1<1.26,1 : math/py-numpy@py39
- py39-h5py>0 : science/py-h5py@py39
- py39-matplotlib>=2.2.2 : math/py-matplotlib@py39
- py39-spglib>0 : science/py-spglib@py39
- py39-yaml>0 : devel/py-yaml@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- This port is required by:
- for Build
-
- science/py-phono3py
- for Run
-
- science/py-phono3py
Configuration Options:
- No options to configure
- Options name:
- science_py-phonopy
- USES:
- python
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
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