pyproject.toml

[build-system]
requires = ["setuptools>=64.0.0", "wheel"]
build-backend = "setuptools.build_meta"

# Installation Instructions:
# Install (normal, use-only):
#     pip install radis
#
# For developers (create an alias, so you can still edit):
#     pip install -e .
#
# When creating a new version, just update the __version__.txt file

[project]
name = "radis"
dynamic = ["version"]  # Version is read from radis/__version__.txt
description = "A fast line-by-line code for high-resolution infrared molecular spectra"
readme = "README.md"
authors = [
    {name = "Erwan Pannier"},
]
license = {text = "GNU Lesser General Public License v3 (LGPLv3)"}
keywords = [
    "spectrum",
    "infrared",
    "spectra",
    "radiation",
    "nonequilibrium",
    "spectroscopy",
    "molecules",
    "HITRAN",
    "hitemp",
    "exomol",
    "GEISA",
    "NIST",
    "Kurucz",
    "line-by-line",
]
classifiers = [
    "Development Status :: 4 - Beta",
    "Intended Audience :: Science/Research",
    "License :: OSI Approved :: GNU Lesser General Public License v3 (LGPLv3)",
    "Topic :: Scientific/Engineering",
    "Programming Language :: Python",
    "Programming Language :: Python :: 3.10",   #DEV MESSAGE: end of life, October 2026, https://devguide.python.org/versions/.
    "Programming Language :: Python :: 3.11",
    "Programming Language :: Python :: 3.12",
    "Programming Language :: Python :: 3.13",
    "Operating System :: OS Independent",
]
requires-python = ">=3.10"
dependencies = [
    # This is a duplicate of environment.yml; but it is NECESSARY to tell pip what are the dependencies in case use employ `pip install -e .` from empty environment
    # Dependencies in environment.yml and here should be kept consistent.
    # This is tested automatically https://github.com/radis/radis/pull/734
    "astropy>=4.3.1",  # Unit aware calculations
    "astroquery>=0.4.6",  # to fetch HITRAN databases
    "beautifulsoup4>=4.10.0",  # parse ExoMol website and HITRAN responses
    "configparser",  # for configuration file handling
    "cryptography",  # for encryption and security features
    "habanero>=1.2.0",  # CrossRef API to retrieve data from doi
    "h5py>=3.2.1",  # load HDF5
    "hjson",  # Json with comments (for default_radis.json)
    "hitran-api",  # HAPI, used to access TIPS partition functions
    "joblib",  # for parallel loading of SpecDatabase
    "json-tricks>=3.15.0",  # to deal with non jsonable formats
    "lmfit",  # for new fitting modules
    "lxml",  # parser used for ExoMol website
    "matplotlib",  # for plotting
    "mpldatacursor",  # interactive data cursors for matplotlib
    "numba",  # just-in-time compiler
    "pandas",  # data manipulation and analysis
    "peakutils",  # peak detection and fitting
    "periodictable",  # periodic table data
    "plotly>=2.5.1",  # for line survey HTML output
    "psutil",  # to get user RAM
    "publib",  # Plotting styles for Matplotlib.
    "python-dotenv",  # for managing environment variables
    "requests",  # for making HTTP requests to HITRAN database
    "ruamel.yaml",  # YAML parsing and writing
    "scipy>=1.4.0",  # scientific computing
    "seaborn",  # other matplotlib themes
    "tables",  # for pandas to HDF5 export - WARNING named "pytables" in conda
    "termcolor",  # terminal colors
    "toml",
    "tqdm",  # for progress bars
    "numpy~=2.0", #Warning, numpy 2.0 is not compatible with vaex-hdf5<=0.14.1, but we install vaex-hdf5 from the github repo see #869 and https://github.com/vaexio/vaex/issues/2468
    'vaex-core; python_version < "3.13"', #to-do, check latest release of vaex (last compatible with 3.12 in january 2026)
    'vaex-hdf5; python_version < "3.13"',
    'vaex-viz; python_version < "3.13"',
    "vulkan",
]

[project.optional-dependencies]
dev = [
    "numpydoc",  # for Jedi (autocompletion) to recognize
    "black>=20.8b1",  # for code-linting in accordance to PEP8
    "isort",  # for sorting imports
    "pre-commit",  # to enforce Black before each commit
    "pytest",  # to run test suite
    "ipython>=7.0.0",  # useful for fast debugging
]
docs = [
    "sphinx-autodoc-annotation",  # for sphinx documentation annotations
    "sphinx>=7",  # documentation generator
    "docutils",  # markup processing
    "astroquery>=0.3.9",  # for documentation examples
    "sphinxcontrib-apidoc",  # for API documentation generation
    "sphinx-gallery",  # for documentation examples gallery
    "lmfit",  # for documentation examples
    "pytest",  # Sphinx autodoc also parses test suite
    "specutils",  # spectroscopic data handling
]

[tool.setuptools]
# Note: Previously used Cython extensions were removed in v0.15
# If re-adding Cython support in the future, add build requirements in build-system.requires
include-package-data = true     # add non .py data files in MANIFEST.in
zip-safe = false  # impossible as long as we have external files read with __file__ syntax
platforms = ["any"]

[tool.setuptools.packages.find]
include = ["radis*"]
exclude = ["radis.test*", "docs*", "examples*", "test*"]

# Previously in setup.py:
# **get_ext_modules(with_binary)  # see Main install routine for radis<0.15
# package_data={'radis': ['radis/phys/units.txt']}  # now handled through MANIFEST.in

[tool.setuptools.dynamic]
version = {file = "radis/__version__.txt"}