pyproject.toml

[build-system]
build-backend = 'mesonpy'
requires = ["meson-python",
            "meson>=1.6",
            "ninja",
            "packaging",
            "numpy>=1.24.0"]

[tool.meson-python.args]
setup = ['--vsenv']

[project]
name = "Euphonic"
description = "Euphonic calculates phonon bandstructures and inelastic neutron scattering intensities from modelling code output (e.g. CASTEP)"
requires-python = ">=3.10"
readme = "README.rst"
license = {text = "GPLv3"}
keywords = [
    "Python",
    "physics",
    "phonons",
    "inelastic neutron scattering",
    "CASTEP",
    "Phonopy",
    "force constants"
]
classifiers = [
    "Development Status :: 4 - Beta",
    "Environment :: Console",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
    "Programming Language :: C",
    "Programming Language :: Python :: 3",
    "Topic :: Scientific/Engineering :: Physics",
]
dependencies = [
    "packaging",
    "numpy>=1.24.0",
    "scipy>=1.10",
    "seekpath>=1.1.0",
    "spglib>=1.9.4",
    "pint>=0.22",
    "threadpoolctl>=3.0.0",
    "toolz>=0.12.1",
]
dynamic = ["version"]

[project.urls]
Homepage = "https://github.com/pace-neutrons/Euphonic"
Repository = "https://github.com/pace-neutrons/Euphonic.git"
"Bug Tracker" = "https://github.com/pace-neutrons/Euphonic/issues"
documentation = "https://euphonic.readthedocs.io/en/stable/"

[project.optional-dependencies]
matplotlib = ["matplotlib>=3.8.0"]
phonopy_reader = ["h5py>=3.6.0", "PyYAML>=6.0"]  # Deprecated, will be removed in future versions.
phonopy-reader = ["h5py>=3.6.0", "PyYAML>=6.0"]
brille = ["brille>=0.7.0"]
test = ["mock", "pytest~=7.0", "coverage", "pytest-mock", "pytest-lazy-fixture", "pytest-xvfb", "python-slugify"]
ci = ["tox==4.32.2"]

[project.scripts]
euphonic-brille-convergence = "euphonic.cli.brille_convergence:main"
euphonic-dispersion = "euphonic.cli.dispersion:main"
euphonic-dos = "euphonic.cli.dos:main"
euphonic-optimise-dipole-parameter = "euphonic.cli.optimise_dipole_parameter:main"
euphonic-show-sampling = "euphonic.cli.show_sampling:main"
euphonic-intensity-map = "euphonic.cli.intensity_map:main"
euphonic-powder-map = "euphonic.cli.powder_map:main"