Add setuptools configuration files

setup.cfg

@@ -0,0 +1,76 @@
+# https://gist.github.com/althonos/6914b896789d3f2078d1e6237642c35c
+
+# --- Setuptools metadata ----------------------------------------------------
+
+[metadata]
+name = mini3di
+version = attr: mini3di.__version__
+author = Martin Larralde
+author_email = [email protected]
+url = https://github.com/althonos/mini3di
+description = A NumPy port of the foldseek code for encoding structures to 3di.
+long_description = file: README.md
+long_description_content_type = text/markdown
+license = MIT
+platform = posix
+keywords = bioinformatics, protein, structure, foldseek, 3di
+classifier =
+    Development Status :: 4 - Beta
+    Intended Audience :: Developers
+    Intended Audience :: Science/Research
+    License :: OSI Approved :: MIT License
+    Operating System :: OS Independent
+    Programming Language :: Python :: 3.7
+    Programming Language :: Python :: 3.8
+    Programming Language :: Python :: 3.9
+    Programming Language :: Python :: 3.10
+    Programming Language :: Python :: 3.11
+    Programming Language :: Python :: Implementation :: CPython
+    Programming Language :: Python :: Implementation :: PyPy
+    Topic :: Scientific/Engineering :: Bio-Informatics
+    Topic :: Scientific/Engineering :: Medical Science Apps.
+    Typing :: Typed
+project_urls =
+    Bug Tracker = https://github.com/althonos/mini3di/issues
+    Changelog = https://github.com/althonos/mini3di/blob/master/CHANGELOG.md
+    Coverage = https://codecov.io/gh/althonos/mini3di/
+    Builds = https://github.com/althonos/mini3di/actions
+    PyPI = https://pypi.org/project/mini3di
+
+[options]
+zip_safe = true
+packages = mini3di
+python_requires = >=3.7
+test_suite = tests
+include_package_data = true
+setup_requires = setuptools >=46.4
+
+[options.package_data]
+mini3di = py.typed, *.kerasify
+
+[bdist_wheel]
+universal = true
+
+# --- Python tools configuration ---------------------------------------------
+
+[coverage:report]
+include = mini3di/*.py
+show_missing = true
+exclude_lines =
+    pragma: no cover
+    if typing.TYPE_CHECKING:
+    @abc.abstractmethod
+    @abc.abstractproperty
+    raise NotImplementedError
+    return NotImplemented
+
+[mypy]
+disallow_any_decorated = true
+disallow_any_generics = true
+disallow_any_unimported = false
+disallow_subclassing_any = false
+disallow_untyped_calls = true
+disallow_untyped_defs = true
+ignore_missing_imports = true
+warn_unused_ignores = true
+warn_return_any = true

setup.py

@@ -0,0 +1,31 @@
+#!/usr/bin/env python
+# coding: utf-8
+
+import configparser
+import setuptools
+from setuptools.command.sdist import sdist as _sdist
+
+try:
+    import astor
+except ImportError as err:
+    astor = err
+
+
+class sdist(_sdist):
+    """A `sdist` that generates a `pyproject.toml` on the fly.
+    """
+
+    def run(self):
+        # build `pyproject.toml` from `setup.cfg`
+        c = configparser.ConfigParser()
+        c.add_section("build-system")
+        c.set("build-system", "requires", str(self.distribution.setup_requires))
+        c.set("build-system", 'build-backend', '"setuptools.build_meta"')
+        with open("pyproject.toml", "w") as pyproject:
+            c.write(pyproject)
+        # run the rest of the packaging
+        _sdist.run(self)
+
+
+if __name__ == "__main__":
+    setuptools.setup(cmdclass=dict(sdist=sdist))