pyproject.toml

[build-system]
requires = ["setuptools>=61.2.0", "setuptools_scm[toml]>=3.4.3"]
build-backend = "setuptools.build_meta"

[project]
name = "PyChem"
readme = "ReadMe.md"
description = ""
authors = [{name = "Roger M. Jarvis", email="Roger.Jarvis@manchester.ac.uk"}, {name = "Roger M. Jarvis", email="admin@pychem.org.uk"}]
classifiers = [
	"Development Status :: 4 - Beta",
	"Environment :: Other Environment",
	"Intended Audience :: Developers",
	"License :: OSI Approved :: GNU General Public License (GPL)",
	"Operating System :: OS Independent",
	"Programming Language :: Python",
	"Programming Language :: Python :: 3",
	"Programming Language :: Python :: 3 :: Only",
	"Topic :: Scientific/Engineering :: Chemistry",
	"Topic :: Scientific/Engineering :: Bio-Informatics",
	"Topic :: Scientific/Engineering :: Physics",
	"Environment :: X11 Applications :: GTK",
]
keywords = ["PyChem"]
license = {text = "GPL-3.0-or-later"}
requires-python = ">=3.4"
dynamic = ["version"]
dependencies = [
	"numpy",
	"scipy",
	"matplotlib",
	"biopython", # https://github.com/biopython/biopython
	"numarray", # https://pypi.org/project/numarray/
	"wxPython", # https://github.com/wxWidgets/Phoenix/
]

[project.urls]
Homepage = "https://github.com/KOLANICH-mirrors/PyChem.py"
"Original Homepage" = "https://sourceforge.net/projects/pychem/"
"Website" = "https://pychem.sourceforge.net/"
"Paper" = "https://academic.oup.com/bioinformatics/article-pdf/22/20/2565/580465/btl416.pdf"

[project.scripts] # intentionally not gui-scripts to show a console window with errors
PyChem = "PyChem.__main__:main"

[tool.setuptools]
zip-safe = false
include-package-data = true

[tool.setuptools.packages.find]
include = ["PyChem", "PyChem.*"]

[tool.setuptools_scm]

[tool.black]
line-length = 100500