pyproject.toml

[project]
name = "pyrheadb"
version = "0.1.2"
authors = [
  { name="Anastasia Sveshnikova", email="anastasia.sveshnikova@sib.swiss" },
]
description = "Package to facilitate cheminformatics access to RheaDB and its analysis with Python"
readme = "README.md"
requires-python = ">=3.8"
classifiers = [
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.8",
    "Programming Language :: Python :: 3.9",
    "Programming Language :: Python :: 3.10",
    "Programming Language :: Python :: 3.11",
    "License :: OSI Approved :: MIT License",
    "Operating System :: POSIX :: Linux",
    # "Operating System :: OS Independent",
]
dependencies = [
    "setuptools", "pandas", "rdkit", "requests_ftp",
    "networkx", "tqdm", "matplotlib",
    "pathlib", "rxnmapper", "pillow", "cobra", "sparqlwrapper", "jupyterlab"
]

[project.optional-dependencies]
test = [
    "pytest >=7.1.3",
    "pytest-cov >=3.0.0",
    "mypy >=1.4.1",
]

[project.urls]
Homepage = "https://github.com/sib-swiss/pyrheadb"
Issues = "https://github.com/sib-swiss/pyrheadb/issues"


[build-system]
requires = ["setuptools>=61.0", "wheel"]
#requires = [
#    "setuptools>=61.0",
#    "requests_ftp>=0.3.1",
#    "rxnmapper>=0.3.0",
#    "rdkit>=2023.9.1",
#    "pandas>=2.0.0",
#    "networkx>=3.0",
#    "tqdm>=4.0.0",
#    "matplotlib>=3.6.0",
#    "pathlib>=1.0.1",
#    "pillow>=10.0.0",
#    "cobra>=0.29.0",
#    "sparqlwrapper>=0.0.0",
#    "jupyterlab>=4.2.0"]

build-backend = "setuptools.build_meta"

[tool.setuptools]
package-dir = {"" = "src"}
packages = ["pyrheadb"]
include-package-data = true

#[tool.setuptools.package-data]
#pyrheadb = ["pyrheadb/biochemical_assumptions", "pyrheadb/modeling_assumptions"]


[tool.pytest.ini_options]
addopts = [
    "--cov=src",
    "--color=yes",
    "--cov-report=term-missing",
]