setup.py

import os
import subprocess
import sys
import uuid

import packaging.version
from setuptools import setup
from setuptools.command.bdist_egg import bdist_egg
from setuptools.command.sdist import sdist


ROOT = os.path.realpath(os.path.dirname(__file__))
METATENSOR_CORE = os.path.join(ROOT, "python", "metatensor-core")
METATENSOR_OPERATIONS = os.path.join(ROOT, "python", "metatensor-operations")
METATENSOR_TORCH = os.path.join(ROOT, "python", "metatensor-torch")
METATENSOR_LEARN = os.path.join(ROOT, "python", "metatensor-learn")

METATENSOR_VERSION = "0.2.0"


class bdist_egg_disabled(bdist_egg):
    """Disabled version of bdist_egg

    Prevents setup.py install performing setuptools' default easy_install,
    which it should never ever do.
    """

    def run(self):
        sys.exit(
            "Aborting implicit building of eggs.\nUse `pip install .` or "
            "`python -m build --wheel . && pip install dist/metatensor-*.whl` "
            "to install from source."
        )


class sdist_git_version(sdist):
    """
    Create a sdist with an additional generated file containing the extra
    version from git.
    """

    def run(self):
        with open("n_commits_since_last_tag", "w") as fd:
            fd.write(str(n_commits_since_last_tag()))

        # run original sdist
        super().run()

        os.unlink("n_commits_since_last_tag")


def n_commits_since_last_tag():
    """
    If git is available and we are building from a checkout, get the number of commits
    since the last tag. Otherwise, this always returns 0.
    """
    script = os.path.join(ROOT, "scripts", "n-commits-since-last-tag.py")
    if not os.path.exists(script):
        return 0

    TAG_PREFIX = "metatensor-python-v"
    output = subprocess.run(
        [sys.executable, script, TAG_PREFIX],
        stderr=subprocess.PIPE,
        stdout=subprocess.PIPE,
        check=True,
        encoding="utf8",
    )

    if output.stderr:
        print(output.stderr, file=sys.stderr)
        return 0
    else:
        return int(output.stdout)


def create_version_number(version):
    version = packaging.version.parse(version)

    if os.path.exists("n_commits_since_last_tag"):
        # we are building from a sdist, without git available, but the git
        # version was recorded in the `n_commits_since_last_tag` file
        with open("n_commits_since_last_tag") as fd:
            n_commits = int(fd.read().strip())
    else:
        n_commits = n_commits_since_last_tag()

    if n_commits != 0:
        # if we have commits since the last tag, this mean we are in a pre-release of
        # the next version. So we increase either the minor version number or the
        # release candidate number (if we are closing up on a release)
        if version.pre is not None:
            assert version.pre[0] == "rc"
            pre = ("rc", version.pre[1] + 1)
            release = version.release
        else:
            major, minor, patch = version.release
            release = (major, minor + 1, 0)
            pre = None

        # this is using a private API which is intended to become public soon:
        # https://github.com/pypa/packaging/pull/698. In the mean time we'll
        # use this
        version._version = version._version._replace(release=release)
        version._version = version._version._replace(pre=pre)
        version._version = version._version._replace(dev=("dev", n_commits))

    return str(version)


if __name__ == "__main__":
    install_requires = []
    extras_require = {}

    # when packaging a sdist for release, we should never use local dependencies
    METATENSOR_NO_LOCAL_DEPS = os.environ.get("METATENSOR_NO_LOCAL_DEPS", "0") == "1"

    if not METATENSOR_NO_LOCAL_DEPS and os.path.exists(METATENSOR_CORE):
        # we are building from a git checkout
        assert os.path.exists(METATENSOR_OPERATIONS)
        assert os.path.exists(METATENSOR_TORCH)
        assert os.path.exists(METATENSOR_LEARN)

        # add a random uuid to the file url to prevent pip from using a cached
        # wheel for metatensor-core, and force it to re-build from scratch
        uuid = uuid.uuid4()
        install_requires.append(
            f"metatensor-core @ file://{METATENSOR_CORE}?{uuid}",
        )
        install_requires.append(
            f"metatensor-operations @ file://{METATENSOR_OPERATIONS}?{uuid}",
        )
        install_requires.append(
            f"metatensor-learn @ file://{METATENSOR_LEARN}?{uuid}",
        )
        extras_require["torch"] = f"metatensor-torch @ file://{METATENSOR_TORCH}?{uuid}"
    else:
        # we are building from a sdist/installing from a wheel
        install_requires.append("metatensor-core")
        install_requires.append("metatensor-operations")
        install_requires.append("metatensor-learn")
        extras_require["torch"] = "metatensor-torch"

    setup(
        version=create_version_number(METATENSOR_VERSION),
        author=", ".join(open(os.path.join(ROOT, "AUTHORS")).read().splitlines()),
        install_requires=install_requires,
        extras_require=extras_require,
        cmdclass={
            "bdist_egg": bdist_egg if "bdist_egg" in sys.argv else bdist_egg_disabled,
            "sdist": sdist_git_version,
        },
    )