From d4253a9bec76f9f73604d30e7cff02639dc6eff7 Mon Sep 17 00:00:00 2001
From: Tammo van der Heide <vanderhe@uni-bremen.de>
Date: Mon, 23 Sep 2024 10:55:32 +0200
Subject: [PATCH] Migrate sktool's setup.cfg to pyproject.toml

---
 sktools/pyproject.toml | 36 ++++++++++++++++++++++++++++++++++--
 sktools/setup.cfg      | 36 ------------------------------------
 sktools/setup.py       | 15 ---------------
 3 files changed, 34 insertions(+), 53 deletions(-)
 delete mode 100644 sktools/setup.cfg
 delete mode 100644 sktools/setup.py

diff --git a/sktools/pyproject.toml b/sktools/pyproject.toml
index b163f45f..0e8402c5 100644
--- a/sktools/pyproject.toml
+++ b/sktools/pyproject.toml
@@ -1,3 +1,35 @@
 [build-system]
-requires = ['setuptools', 'wheel', 'numpy', 'scipy']
-build-backend = 'setuptools.build_meta'
\ No newline at end of file
+requires = ["hatchling"]
+build-backend = "hatchling.build"
+
+[project]
+name = "sktools"
+version = "0.3"
+authors = [{name = "DFTB+ developers"},]
+dependencies = ["numpy", "scipy"]
+requires-python = ">=3.10"
+description = "Tools to Generate Electronic SK-parameters"
+license = {text = "LGPLv3+"}
+classifiers = [
+  "Development Status :: 4 - Beta",
+  "Intended Audience :: Science/Research",
+  "License :: OSI Approved :: GNU Lesser General Public License v3 or later (LGPLv3+)",
+  "Programming Language :: Python :: 3",
+  "Environment :: Console",
+  "Operating System :: OS Independent",
+  "Topic :: Scientific/Engineering",
+]
+
+[project.urls]
+Homepage = "http://www.dftbplus.org"
+Documentation = "https://dftbplus-recipes.readthedocs.io/en/latest/"
+Repository = "https://github.com/dftbplus/skprogs.git"
+Issues = "https://github.com/dftbplus/skprogs/issues"
+
+[project.scripts]
+collectspinw = "sktools.scripts.collectspinw:main"
+collectwavecoeffs = "sktools.scripts.collectwavecoeffs:main"
+skdiff = "sktools.scripts.skdiff:main"
+skexp = "sktools.scripts.skexp:main"
+skgen = "sktools.scripts.skgen:main"
+skmanip = "sktools.scripts.skmanip:main"
diff --git a/sktools/setup.cfg b/sktools/setup.cfg
deleted file mode 100644
index 40e410a8..00000000
--- a/sktools/setup.cfg
+++ /dev/null
@@ -1,36 +0,0 @@
-[metadata]
-name = sktools
-version = 0.3
-author = DFTB+ developers
-url = http://www.dftbplus.org
-description = Tools to Generate Electronic SK-parameters
-license = LGPL-3.0-or-later
-license_files =
-    ../COPYING
-    ../COPYING.LESSER
-platform = any
-
-[options]
-include_package_data = True
-package_dir =
-    = src
-packages =
-    sktools
-    sktools.hsd
-    sktools.calculators
-    sktools.skgen
-    sktools.scripts
-install_requires =
-    numpy
-    scipy
-
-[options.entry_points]
-console_scripts =
-    collectspinw = sktools.scripts.collectspinw:main
-    collectwavecoeffs = sktools.scripts.collectwavecoeffs:main
-    skdiff = sktools.scripts.skdiff:main
-    skexp = sktools.scripts.skexp:main
-    skgen = sktools.scripts.skgen:main
-    skmanip = sktools.scripts.skmanip:main
-
-python_requires = >=3.2
diff --git a/sktools/setup.py b/sktools/setup.py
deleted file mode 100644
index 7c3378a0..00000000
--- a/sktools/setup.py
+++ /dev/null
@@ -1,15 +0,0 @@
-#!/usr/bin/env python3
-
-'''
-Legacy setup.py file that gathers its
-configuration from setup.cfg and pyproject.toml
-'''
-
-try:
-    from setuptools import setup
-except ImportError:
-    from distutils.core import setup
-
-
-if __name__ == '__main__':
-    setup()