pyproject.toml

[build-system]
requires = ["setuptools", "setuptools-scm"]
build-backend = "setuptools.build_meta"

[project]
name = "imelt"
version = "2.1.3"
dependencies = [
  "matplotlib",
  "numpy",
  "scipy",
  "rampy",
  "h5py",
  "torch",
  "scikit-learn",
  "pandas",
  "openpyxl",
  ]
authors = [
  {name = "Charles Le Losq", email = "lelosq@ipgp.fr"},
  {name = "Barbara Baldoni", email = "lelosq@ipgp.fr"},
  {name = "Andrew Valentine", email = "lelosq@ipgp.fr"},
]
requires-python = ">=3.8"
license = {file = "LICENSE"}
description = "A physics-guided neural network model for the prediction of structural, thermodynamic and dynamic properties of aluminosilicate melts and glasses."
readme = "README.md"
keywords = ["properties", "raman", "liquid", "glass", "magma", "aluminosilicate"]
classifiers = [
  "Development Status :: 5 - Production/Stable",
  "Programming Language :: Python"
]

[project.optional-dependencies]

[tool.setuptools.package-data]
"imelt" = ["models/best_list.csv",  "models/*.pth", "data/*.hdf5"]

[project.urls]
Homepage = "https://github.com/charlesll/i-melt"
Documentation = "https://i-melt.readthedocs.io/en/latest/"
Repository = "https://github.com/charlesll/i-melt.git"
"Bug Tracker" = "https://github.com/charlesll/i-melt/issues"
Changelog = "https://github.com/charlesll/i-melt/NEWS.md"