Source: pymatgen-core
Section: python
Priority: optional
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Uploaders: Drew Parsons <dparsons@debian.org>
Build-Depends: debhelper-compat (= 13),
 pymatgen-core-test-files <!nocheck>,
 dh-python,
 dh-sequence-python3,
 cython3,
 pybuild-plugin-pyproject,
 python3-setuptools,
 python3-all-dev,
 python3-pytest,
 python3-bibtexparser,
 python3-frozendict,
 python3-matplotlib (>= 3.8~),
 python3-monty (>= 2026.2.18~),
 python3-networkx (>= 3~),
 python3-numpy-dev (>= 1.25.0~),
 python3-orjson,
 python3-palettable (>= 3.3.3~),
 python3-pandas (>= 2~),
 python3-plotly (>= 5.0.0~),
 python3-requests (>= 2.32.5~),
 python3-ruamel.yaml (>= 0.17.0~),
 python3-scipy (>= 1.13.0~),
 python3-spglib (>= 2.5.0~),
 python3-sympy (>= 1.6.2~),
 python3-tabulate (>= 0.9~),
 python3-tqdm (>= 4.67.3~),
 python3-uncertainties (>= 3.1.4~),
 python3-joblib (>= 1.3.2~),
 python3-ase (>= 3.26.0~),
 python3-bs4 (>= 4.9.1~),
 python3-h5py (>= 3.11.0~),
 python3-netcdf4 (>= 1.7.2~),
 python3-phonopy (>= 2.33.3~),
 python3-openbabel (>= 3.1.1~),
 packmol [!riscv64] <!nocheck>
Standards-Version: 4.7.4
Homepage: https://github.com/materialsproject/pymatgen-core
Rules-Requires-Root: no
Vcs-Browser: https://salsa.debian.org/debichem-team/pymatgen-core
Vcs-Git: https://salsa.debian.org/debichem-team/pymatgen-core.git

Package: python3-pymatgen-core
Architecture: any
Depends: ${python3:Depends},
 ${misc:Depends},
 ${shlibs:Depends}
Recommends: python3-pymatgen,
 python3-openbabel,
 python3-ase (>= 3.27.0~)
Suggests: python-pymatgen-doc
Conflicts: python3-pymatgen (<< 2026.3.23~)
Replaces: python3-pymatgen (<< 2026.3.23~)
Description: Python Materials Genomics for materials analysis
 Pymatgen (Python Materials Genomics) is a robust, open-source Python
 library for materials analysis. These are some of the main features:
 .
 1.Highly flexible classes for the representation of Element, Site,
 Molecule, Structure objects.
 .
 2. 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.
 .
 3. Powerful analysis tools, including generation of phase diagrams,
 Pourbaix diagrams, diffusion analyses, reactions, etc.
 .
 4. Electronic structure analyses, such as density of states and band
 structure.
 .
 5. Integration with the Materials Project REST API, Crystallography
 Open Database.
 .
 This package provides the pymatgen-core module for Python 3,
 containing core functionality used by pymatgen.