Port details on branch 2022Q2 |
- py-pymatgen Python Materials Genomics is a robust materials analysis code
- 2022.7.19_1 science =0 2022.7.19_1Version of this port present on the latest quarterly branch.
- Maintainer: yuri@FreeBSD.org
- Port Added: 2018-06-15 23:49:49
- Last Update: 2024-03-09 15:21:48
- Commit Hash: 46103fe
- Also Listed In: python
- License: MIT
- WWW:
- https://pymatgen.org/
- Description:
- Pymatgen (Python Materials Genomics) is a robust, open-source Python library
for materials analysis. These are some of the main features:
* Highly flexible classes for the representation of Element, Site, Molecule,
Structure objects.
* Extensive input/output support, including support for VASP
(http://cms.mpi.univie.ac.at/vasp/), ABINIT (http://www.abinit.org/), CIF,
Gaussian, XYZ, and many other file formats.
* Powerful analysis tools, including generation of phase diagrams, Pourbaix
diagrams, diffusion analyses, reactions, etc.
* Electronic structure analyses, such as density of states and band structure.
* Integration with the Materials Project REST API, Crystallography Open
Database.
- ¦ ¦ ¦ ¦
- 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:
-
- ${PYTHON_PKGNAMEPREFIX}pymatgen>0:science/py-pymatgen@${PY_FLAVOR}
- To install the port:
- cd /usr/ports/science/py-pymatgen/ && make install clean
- To add the package, run one of these commands:
- pkg install science/py-pymatgen
- pkg install py39-pymatgen
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-pymatgen listed in the above command, you can pick from the names under the Packages section.- PKGNAME: py39-pymatgen
- Package flavors (<flavor>: <package>)
- distinfo:
- TIMESTAMP = 1659081267
SHA256 (pymatgen-2022.7.19.tar.gz) = 4557fb7ee0f25753d97fa0cd8bcfb9d36ea7d422ee12b416cae05c7fb50531d7
SIZE (pymatgen-2022.7.19.tar.gz) = 2610811
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
- cython-3.9 : lang/cython@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- Test dependencies:
-
- py39-pybtex>0 : textproc/py-pybtex@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-beautifulsoup>0 : www/py-beautifulsoup@py39
- py39-matplotlib>0 : math/py-matplotlib@py39
- py39-monty>0 : devel/py-monty@py39
- py39-networkx>0 : math/py-networkx@py39
- py39-palettable>=3.3.0 : misc/py-palettable@py39
- py39-pandas>0 : math/py-pandas@py39
- py39-plotly>0 : graphics/py-plotly@py39
- py39-requests>0 : www/py-requests@py39
- py39-ruamel.yaml>0 : devel/py-ruamel.yaml@py39
- py39-scipy>=1.7.3 : science/py-scipy@py39
- py39-six>0 : devel/py-six@py39
- py39-spglib>0 : science/py-spglib@py39
- py39-sympy>0 : math/py-sympy@py39
- py39-tabulate>0 : devel/py-tabulate@py39
- py39-tqdm>0 : misc/py-tqdm@py39
- py39-typing-extensions>0 : devel/py-typing-extensions@py39
- py39-uncertainties>=3.1.6 : math/py-uncertainties@py39
- py39-setuptools>=63.1.0 : devel/py-setuptools@py39
- python3.9 : lang/python39
- This port is required by:
- for Build
-
- science/py-kpLib
- for Run
-
- science/py-abipy
- science/py-kpLib
- science/py-mp-api
- science/py-mpcontribs-client
- science/py-pymatgen-analysis-alloys
Configuration Options:
- No options to configure
- Options name:
- science_py-pymatgen
- USES:
- compiler:c++11-lang python
- FreshPorts was unable to extract/find any pkg message
- Master Sites:
|