pyproject.toml

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

[project]
name = "gcms_data_analysis"
version = "1.2.0"
authors = [{ name = "Matteo Pecchi" }]
description = "Automatic analysis of GC-MS data"
readme = "README.md"
license = { file = "LICENSE" }  # Ensure the file name matches the case (e.g., LICENSE or license)

# Dependencies directly under [project]
dependencies = [
    "numpy",
    "pandas",
    "matplotlib",
    "seaborn",
    "ele",
    "pubchempy",
    "rdkit",
    "openpyxl",
    "pyarrow"
]

# Classifiers directly under [project]
classifiers = [
    "Programming Language :: Python :: 3",
    "License :: OSI Approved :: MIT License",
    "Operating System :: OS Independent",
]

requires-python = ">=3.8"

[project.urls]
Homepage = "https://github.com/mpecchi/gcms_data_analysis/tree/main"
Documentation = "https://gcms-data-analysis.readthedocs.io/en/latest/"