pyproject.toml

[build-system]
requires = ["hatchling"]
build-backend = "hatchling.build"

[project]
name = "MASSIVEChem"
version = "6.0"
description = "MASSIVEChem is a pip-installable package for analytical chemistry. It simulates molecule mass spectra and graphically displays them. It includes tools like a functional group finder and unsaturation calculator to aid chemical analysis."
readme = "README.md"
requires-python = ">=3.8"
license = "MIT"
keywords = [
  "Mass spectroscopy",
  "unsaturation",
  "functional group",
  "spectroscopy",
  "spectrometry",
  "chemistry",
  "cheminformatics",
  "chemical-engineering",
  "chemistry-lab",
  "chemical-property-prediction"
 ]
authors = [
  { name = "Thomas Viking Christiansson", email = "thomas.christiansson@epfl.ch" },
  { name = "Igor Gonteri", email = "igor.gonteri@epfl.ch" },
  { name = "Arthur Humery", email = "arthur.humery@epfl.ch" }
]
dependencies = [
  "rdkit",
  "bokeh",
  "panel",
]
classifiers = [
    "Development Status :: 4 - Beta",
    "Programming Language :: Python :: 3",
    "License :: OSI Approved :: MIT License",
    "Operating System :: OS Independent"
]

[project.urls]
Homepage = "https://github.com/ThomasCsson/MASSIVEChem.git"
GitHub_Thomas_Christiansson = "https://github.com/ThomasCsson"
GitHub_Igor_Gonteri = "https://github.com/igorgonteri"
GitHub_Arthur_Humery = "https://github.com/Arthurhmy"