Merge pull request #42 from jennyfothergill/add/git-version-tracking

Add version tracking through git

.gitignore

@@ -1,3 +1,6 @@
+# When using setuptools_scm don't track __version__.py
+__version__.py
+
 # scratch dir
 scratch
 

grits/__init__.py

@@ -1,9 +1,16 @@
 """GRiTS: A coarse-grain toolkit using chemical grammars."""
+from importlib.metadata import PackageNotFoundError, version
+
 from . import utils
-from .__version__ import __version__
 from .coarsegrain import Bead, CG_Compound, CG_System
 from .finegrain import backmap
 
+try:
+    __version__ = version("grits")
+except PackageNotFoundError:
+    # package is not installed
+    pass
+
 __all__ = [
     "__version__",
     "CG_Compound",

pyproject.toml

@@ -0,0 +1,6 @@
+[build-system]
+requires = ["setuptools>=45", "setuptools_scm[toml]>=6.2"]
+build-backend = "setuptools.build_meta"
+
+[tool.setuptools_scm]
+write_to = "grits/__version__.py"

setup.py

@@ -1,109 +1,59 @@
-#!/usr/bin/env python
-# -*- coding: utf-8 -*-
+from codecs import open
+from os import path
 
-# Example copied with love from:
-# https://github.com/kennethreitz/setup.py/blob/master/setup.py
-
-# Note: To use the 'upload' functionality of this file, you must:
-#   $ pip install twine
-
-import io
-import os
-import sys
-from shutil import rmtree
-
-from setuptools import Command, find_packages, setup
+from setuptools import find_packages, setup
 
 # Package meta-data.
 NAME = "grits"
 DESCRIPTION = "A toolkit for working with coarse-grained systems"
 URL = "https://github.com/cmelab/grits"
 EMAIL = "[email protected]"
 AUTHOR = "Jenny Fothergill"
-REQUIRES_PYTHON = ">=3.7.0"
+REQUIRES_PYTHON = ">=3.8"
 
 # What packages are required for this module to be executed?
 REQUIRED = ["mbuild", "numpy"]
 
-# The rest you shouldn't have to touch too much :)
-# ------------------------------------------------
-# Except, perhaps the License and Trove Classifiers!
-# If you do change the License, remember to change the Trove Classifier!
-
-here = os.path.abspath(os.path.dirname(__file__))
-
-# Load the package's __version__.py module as a dictionary.
-about = {}
-with open(os.path.join(here, NAME, "__version__.py")) as f:
-    exec(f.read(), about)
-
-
-class UploadCommand(Command):
-    """Support setup.py upload."""
 
-    description = "Build and publish the package."
-    user_options = []
+here = path.abspath(path.dirname(__file__))
 
-    @staticmethod
-    def status(s):
-        """Prints things in bold."""
-        print("\033[1m{0}\033[0m".format(s))
+with open("README.md", "r", encoding="utf-8") as f:
+    long_description = f.read()
 
-    def initialize_options(self):
-        pass
 
-    def finalize_options(self):
-        pass
+def myversion():
+    from setuptools_scm.version import get_local_dirty_tag
 
-    def run(self):
-        try:
-            self.status("Removing previous builds…")
-            rmtree(os.path.join(here, "dist"))
-        except OSError:
-            pass
+    def clean_scheme(version):
+        return get_local_dirty_tag(version) if version.dirty else "+clean"
 
-        self.status("Building Source and Wheel (universal) distribution…")
-        os.system(f"{sys.executable} setup.py sdist bdist_wheel --universal")
+    return {"local_scheme": clean_scheme}
 
-        self.status("Uploading the package to PyPi via Twine…")
-        os.system("twine upload dist/*")
 
-        self.status("Pushing git tags…")
-        os.system(f"git tag v{about['__version__']}")
-        os.system("git push --tags")
-
-        sys.exit()
-
-
-# Where the magic happens:
 setup(
     name=NAME,
-    version=about["__version__"],
-    description=DESCRIPTION,
+    use_scm_version=myversion,
     author=AUTHOR,
     author_email=EMAIL,
-    python_requires=REQUIRES_PYTHON,
+    description=DESCRIPTION,
+    long_description=long_description,
+    long_description_content_type="text/markdown",
     url=URL,
+    license="GPLv3",
+    project_urls={
+        "Bug Tracker": f"{URL}/issues",
+    },
+    python_requires=REQUIRES_PYTHON,
     packages=find_packages(exclude=("tests", "docs", "examples")),
-    # If your package is a single module, use this instead of 'packages':
-    # py_modules=['mypackage'],
-    # entry_points={
-    #     'console_scripts': ['mycli=mymodule:cli'],
-    # },
     package_data={"grits": ["compounds/*"]},
     install_requires=REQUIRED,
     include_package_data=True,
-    license="MIT",
     classifiers=[
         # Trove classifiers
         # Full list: https://pypi.python.org/pypi?%3Aaction=list_classifiers
         "License :: OSI Approved :: GNU General Public License v3 (GPLv3)",
         "Programming Language :: Python",
         "Programming Language :: Python :: 3",
-        "Programming Language :: Python :: 3.7",
-        "Programming Language :: Python :: Implementation :: CPython",
-        "Programming Language :: Python :: Implementation :: PyPy",
+        "Programming Language :: Python :: 3.8",
     ],
-    # $ setup.py publish support.
-    cmdclass={"upload": UploadCommand},
 )