setup.py

#!/usr/bin/env python
# -*- coding: utf-8 -*-

import io
from itertools import chain
import os
import re
import shutil
import subprocess
import sys
import warnings

from setuptools import setup

pkg_name = "chempy"
url = "https://github.com/bjodah/" + pkg_name
license = "BSD"

RELEASE_VERSION = os.environ.get("%s_RELEASE_VERSION" % pkg_name.upper(), "")  # v*


def _path_under_setup(*args):
    return os.path.join(os.path.dirname(__file__), *args)


release_py_path = _path_under_setup(pkg_name, "_release.py")

if len(RELEASE_VERSION) > 0:
    if RELEASE_VERSION[0] == "v":
        TAGGED_RELEASE = True
        __version__ = RELEASE_VERSION[1:]
    else:
        raise ValueError("Ill formatted version")
else:
    TAGGED_RELEASE = False
    # read __version__ attribute from _release.py:
    exec(open(release_py_path).read())
    if __version__.endswith("git"):
        try:
            _git_version = (
                subprocess.check_output(["git", "describe", "--dirty"])
                .rstrip()
                .decode("utf-8")
                .replace("-dirty", ".dirty")
            )
        except subprocess.CalledProcessError:
            warnings.warn(
                "A git-archive is being installed - version information incomplete."
            )
        else:
            if "develop" not in sys.argv:
                warnings.warn("Using git to derive version: dev-branches may compete.")
                _ver_tmplt = (
                    r"\1.post\2"
                    if os.environ.get("CONDA_BUILD", "0") == "1"
                    else r"\1.post\2+\3"
                )
                __version__ = re.sub(
                    r"v([0-9.]+)-(\d+)-(\S+)", _ver_tmplt, _git_version
                )  # .dev < '' < .post

submodules = [
    "chempy.electrochemistry",
    "chempy.kinetics",
    "chempy.printing",
    "chempy.properties",
    "chempy.thermodynamics",
    "chempy.util",
]

tests = [
    "chempy.tests",
    "chempy.electrochemistry.tests",
    "chempy.kinetics.tests",
    "chempy.printing.tests",
    "chempy.properties.tests",
    "chempy.thermodynamics.tests",
    "chempy.util.tests",
]

classifiers = [
    "Development Status :: 4 - Beta",
    "License :: OSI Approved :: BSD License",
    "Operating System :: OS Independent",
    "Topic :: Scientific/Engineering",
    "Topic :: Scientific/Engineering :: Chemistry",
    "Programming Language :: Python",
    "Programming Language :: Python :: 3",
    "Programming Language :: Python :: 3.8",
    "Programming Language :: Python :: 3.9",
]

with io.open(_path_under_setup(pkg_name, "__init__.py"), "rt", encoding="utf-8") as f:
    short_description = f.read().split('"""')[1].split("\n")[1]
if not 10 < len(short_description) < 255:
    warnings.warn("Short description from __init__.py probably not read correctly")
long_descr = io.open(_path_under_setup("README.rst"), encoding="utf-8").read()
if not len(long_descr) > 100:
    warnings.warn("Long description from README.rst probably not read correctly.")
_author, _author_email = open(_path_under_setup("AUTHORS"), "rt").readline().split("<")

extras_req = {
    "integrators": ["pyodeint>=0.10.4", "pycvodes>=0.14.5", "pygslodeiv2>=0.9.4"],
    "solvers": ["pykinsol>=0.1.6"],
    "native": ["pycompilation>=0.4.12", "pycodeexport>=0.1.3", "appdirs"],
    "docs": ["Sphinx", "sphinx_rtd_theme", "numpydoc"],
    "plotting": ["bokeh>=0.13.0", "ipywidgets"],
    "testing": ["black", "pytest>=3.9", "pytest-cov", "pytest-flake8", "rstcheck"],
}
extras_req["all"] = list(chain(extras_req.values()))

setup_kwargs = dict(
    name=pkg_name,
    version=__version__,
    description=short_description,
    long_description=long_descr,
    author=_author.strip(),
    author_email=_author_email.split(">")[0].strip(),
    url=url,
    license=license,
    keywords=["chemistry", "water properties", "physical chemistry"],
    packages=[pkg_name] + submodules + tests,
    classifiers=classifiers,
    install_requires=[
        "numpy>1.11.3",
        "scipy>=1.0.1",
        "matplotlib>=2.2.3",
        "sympy>=1.1.1,!=1.2",
        "quantities>=0.12.1",
        "pyneqsys>=0.5.5",
        "pyodesys>=0.14.4" if sys.version_info[0] >= 3 else "pyodesys<0.12",
        "pyparsing>=2.0.3",
        "sym>=0.3.4",
        "pulp>=1.6.8",
        "dot2tex>=2.11.3",
    ],
    extras_require=extras_req,
    python_requires=">=3.8",
)

if __name__ == "__main__":
    try:
        if TAGGED_RELEASE:
            # Same commit should generate different sdist
            # depending on tagged version (set CHEMPY_RELEASE_VERSION)
            # this will ensure source distributions contain the correct version
            shutil.move(release_py_path, release_py_path + "__temp__")
            open(release_py_path, "wt").write(
                "__version__ = '{}'\n".format(__version__)
            )
        setup(**setup_kwargs)
    finally:
        if TAGGED_RELEASE:
            shutil.move(release_py_path + "__temp__", release_py_path)