From fbd29d0d681ff40ea70559c9e11ae00df52ec691 Mon Sep 17 00:00:00 2001 From: liamhuber Date: Thu, 2 Oct 2025 11:25:35 -0700 Subject: [PATCH 01/11] Use hatchling as build system Signed-off-by: liamhuber --- .ci_support/environment.yml | 5 +- .github/workflows/preview-release.yml | 19 - .github/workflows/release.yml | 15 + pyiron_module_template/__init__.py | 9 +- pyiron_module_template/_version.py | 716 -------------------------- pyproject.toml | 38 +- setup.py | 8 - 7 files changed, 48 insertions(+), 762 deletions(-) delete mode 100644 .github/workflows/preview-release.yml create mode 100644 .github/workflows/release.yml delete mode 100644 pyiron_module_template/_version.py delete mode 100644 setup.py diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 161511b..6a4b1e5 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -1,6 +1,7 @@ channels: - conda-forge dependencies: + - hatchling =1.27.0 + - hatch-vcs =0.5.0 - numpy =2.3.1 - - setuptools >=68 - + - python >=3.11,<3.14 diff --git a/.github/workflows/preview-release.yml b/.github/workflows/preview-release.yml deleted file mode 100644 index 3322104..0000000 --- a/.github/workflows/preview-release.yml +++ /dev/null @@ -1,19 +0,0 @@ -# This runs jobs which pyiron modules should run on release -# This job runs on pull requests and does not actually publish anything to pypi -# It is useful for debugging new build recipes -# To actually release, change the `on` and `publish-to-pypi` fields -name: Preview Release - -on: - pull_request: -# release: -# types: [ published ] - -jobs: - pyiron: - uses: pyiron/actions/.github/workflows/pyproject-release.yml@actions-4.0.8 - secrets: inherit - with: - semantic-upper-bound: 'minor' - lower-bound-yaml: '.ci_support/lower-bounds.yml' - publish-to-pypi: false diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml new file mode 100644 index 0000000..d97a757 --- /dev/null +++ b/.github/workflows/release.yml @@ -0,0 +1,15 @@ +name: Release + +on: + pull_request: +# release: +# types: [ published ] + +jobs: + hatch-release: + uses: pyiron/actions/.github/workflows/hatch-release.yml@actions-4.0.8 + secrets: inherit + with: + semantic-upper-bound: 'minor' + lower-bound-yaml: '.ci_support/lower-bounds.yml' + publish-to-pypi: ${{ github.event_name == 'release' && github.event.action == 'published' }} diff --git a/pyiron_module_template/__init__.py b/pyiron_module_template/__init__.py index 4d52a61..e63164e 100644 --- a/pyiron_module_template/__init__.py +++ b/pyiron_module_template/__init__.py @@ -1,3 +1,8 @@ -from . import _version +import importlib.metadata -__version__ = _version.get_versions()["version"] +try: + # Installed package will find its version + __version__ = importlib.metadata.version(__name__) +except importlib.metadata.PackageNotFoundError: + # Repository clones will register an unknown version + __version__ = "0.0.0+unknown" diff --git a/pyiron_module_template/_version.py b/pyiron_module_template/_version.py deleted file mode 100644 index fb1d5f8..0000000 --- a/pyiron_module_template/_version.py +++ /dev/null @@ -1,716 +0,0 @@ -# This file helps to compute a version number in source trees obtained from -# git-archive tarball (such as those provided by githubs download-from-tag -# feature). Distribution tarballs (built by setup.py sdist) and build -# directories (produced by setup.py build) will contain a much shorter file -# that just contains the computed version number. - -# This file is released into the public domain. -# Generated by versioneer-0.29 -# https://github.com/python-versioneer/python-versioneer - -"""Git implementation of _version.py.""" - -import errno -import os -import re -import subprocess -import sys -from typing import Any, Callable, Dict, List, Optional, Tuple -import functools - - -def get_keywords() -> Dict[str, str]: - """Get the keywords needed to look up the version information.""" - # these strings will be replaced by git during git-archive. - # setup.py/versioneer.py will grep for the variable names, so they must - # each be defined on a line of their own. _version.py will just call - # get_keywords(). - git_refnames = "$Format:%d$" - git_full = "$Format:%H$" - git_date = "$Format:%ci$" - keywords = {"refnames": git_refnames, "full": git_full, "date": git_date} - return keywords - - -class VersioneerConfig: - """Container for Versioneer configuration parameters.""" - - VCS: str - style: str - tag_prefix: str - parentdir_prefix: str - versionfile_source: str - verbose: bool - - -def get_config() -> VersioneerConfig: - """Create, populate and return the VersioneerConfig() object.""" - # these strings are filled in when 'setup.py versioneer' creates - # _version.py - cfg = VersioneerConfig() - cfg.VCS = "git" - cfg.style = "pep440-pre" - cfg.tag_prefix = "pyiron_module_template-" - cfg.parentdir_prefix = "pyiron_module_template" - cfg.versionfile_source = "pyiron_module_template/_version.py" - cfg.verbose = False - return cfg - - -class NotThisMethod(Exception): - """Exception raised if a method is not valid for the current scenario.""" - - -LONG_VERSION_PY: Dict[str, str] = {} -HANDLERS: Dict[str, Dict[str, Callable]] = {} - - -def register_vcs_handler(vcs: str, method: str) -> Callable: # decorator - """Create decorator to mark a method as the handler of a VCS.""" - - def decorate(f: Callable) -> Callable: - """Store f in HANDLERS[vcs][method].""" - if vcs not in HANDLERS: - HANDLERS[vcs] = {} - HANDLERS[vcs][method] = f - return f - - return decorate - - -def run_command( - commands: List[str], - args: List[str], - cwd: Optional[str] = None, - verbose: bool = False, - hide_stderr: bool = False, - env: Optional[Dict[str, str]] = None, -) -> Tuple[Optional[str], Optional[int]]: - """Call the given command(s).""" - assert isinstance(commands, list) - process = None - - popen_kwargs: Dict[str, Any] = {} - if sys.platform == "win32": - # This hides the console window if pythonw.exe is used - startupinfo = subprocess.STARTUPINFO() - startupinfo.dwFlags |= subprocess.STARTF_USESHOWWINDOW - popen_kwargs["startupinfo"] = startupinfo - - for command in commands: - try: - dispcmd = str([command] + args) - # remember shell=False, so use git.cmd on windows, not just git - process = subprocess.Popen( - [command] + args, - cwd=cwd, - env=env, - stdout=subprocess.PIPE, - stderr=(subprocess.PIPE if hide_stderr else None), - **popen_kwargs, - ) - break - except OSError as e: - if e.errno == errno.ENOENT: - continue - if verbose: - print("unable to run %s" % dispcmd) - print(e) - return None, None - else: - if verbose: - print("unable to find command, tried %s" % (commands,)) - return None, None - stdout = process.communicate()[0].strip().decode() - if process.returncode != 0: - if verbose: - print("unable to run %s (error)" % dispcmd) - print("stdout was %s" % stdout) - return None, process.returncode - return stdout, process.returncode - - -def versions_from_parentdir( - parentdir_prefix: str, - root: str, - verbose: bool, -) -> Dict[str, Any]: - """Try to determine the version from the parent directory name. - - Source tarballs conventionally unpack into a directory that includes both - the project name and a version string. We will also support searching up - two directory levels for an appropriately named parent directory - """ - rootdirs = [] - - for _ in range(3): - dirname = os.path.basename(root) - if dirname.startswith(parentdir_prefix): - return { - "version": dirname[len(parentdir_prefix) :], - "full-revisionid": None, - "dirty": False, - "error": None, - "date": None, - } - rootdirs.append(root) - root = os.path.dirname(root) # up a level - - if verbose: - print( - "Tried directories %s but none started with prefix %s" - % (str(rootdirs), parentdir_prefix) - ) - raise NotThisMethod("rootdir doesn't start with parentdir_prefix") - - -@register_vcs_handler("git", "get_keywords") -def git_get_keywords(versionfile_abs: str) -> Dict[str, str]: - """Extract version information from the given file.""" - # the code embedded in _version.py can just fetch the value of these - # keywords. When used from setup.py, we don't want to import _version.py, - # so we do it with a regexp instead. This function is not used from - # _version.py. - keywords: Dict[str, str] = {} - try: - with open(versionfile_abs, "r") as fobj: - for line in fobj: - if line.strip().startswith("git_refnames ="): - mo = re.search(r'=\s*"(.*)"', line) - if mo: - keywords["refnames"] = mo.group(1) - if line.strip().startswith("git_full ="): - mo = re.search(r'=\s*"(.*)"', line) - if mo: - keywords["full"] = mo.group(1) - if line.strip().startswith("git_date ="): - mo = re.search(r'=\s*"(.*)"', line) - if mo: - keywords["date"] = mo.group(1) - except OSError: - pass - return keywords - - -@register_vcs_handler("git", "keywords") -def git_versions_from_keywords( - keywords: Dict[str, str], - tag_prefix: str, - verbose: bool, -) -> Dict[str, Any]: - """Get version information from git keywords.""" - if "refnames" not in keywords: - raise NotThisMethod("Short version file found") - date = keywords.get("date") - if date is not None: - # Use only the last line. Previous lines may contain GPG signature - # information. - date = date.splitlines()[-1] - - # git-2.2.0 added "%cI", which expands to an ISO-8601 -compliant - # datestamp. However we prefer "%ci" (which expands to an "ISO-8601 - # -like" string, which we must then edit to make compliant), because - # it's been around since git-1.5.3, and it's too difficult to - # discover which version we're using, or to work around using an - # older one. - date = date.strip().replace(" ", "T", 1).replace(" ", "", 1) - refnames = keywords["refnames"].strip() - if refnames.startswith("$Format"): - if verbose: - print("keywords are unexpanded, not using") - raise NotThisMethod("unexpanded keywords, not a git-archive tarball") - refs = {r.strip() for r in refnames.strip("()").split(",")} - # starting in git-1.8.3, tags are listed as "tag: foo-1.0" instead of - # just "foo-1.0". If we see a "tag: " prefix, prefer those. - TAG = "tag: " - tags = {r[len(TAG) :] for r in refs if r.startswith(TAG)} - if not tags: - # Either we're using git < 1.8.3, or there really are no tags. We use - # a heuristic: assume all version tags have a digit. The old git %d - # expansion behaves like git log --decorate=short and strips out the - # refs/heads/ and refs/tags/ prefixes that would let us distinguish - # between branches and tags. By ignoring refnames without digits, we - # filter out many common branch names like "release" and - # "stabilization", as well as "HEAD" and "master". - tags = {r for r in refs if re.search(r"\d", r)} - if verbose: - print("discarding '%s', no digits" % ",".join(refs - tags)) - if verbose: - print("likely tags: %s" % ",".join(sorted(tags))) - for ref in sorted(tags): - # sorting will prefer e.g. "2.0" over "2.0rc1" - if ref.startswith(tag_prefix): - r = ref[len(tag_prefix) :] - # Filter out refs that exactly match prefix or that don't start - # with a number once the prefix is stripped (mostly a concern - # when prefix is '') - if not re.match(r"\d", r): - continue - if verbose: - print("picking %s" % r) - return { - "version": r, - "full-revisionid": keywords["full"].strip(), - "dirty": False, - "error": None, - "date": date, - } - # no suitable tags, so version is "0+unknown", but full hex is still there - if verbose: - print("no suitable tags, using unknown + full revision id") - return { - "version": "0+unknown", - "full-revisionid": keywords["full"].strip(), - "dirty": False, - "error": "no suitable tags", - "date": None, - } - - -@register_vcs_handler("git", "pieces_from_vcs") -def git_pieces_from_vcs( - tag_prefix: str, root: str, verbose: bool, runner: Callable = run_command -) -> Dict[str, Any]: - """Get version from 'git describe' in the root of the source tree. - - This only gets called if the git-archive 'subst' keywords were *not* - expanded, and _version.py hasn't already been rewritten with a short - version string, meaning we're inside a checked out source tree. - """ - GITS = ["git"] - if sys.platform == "win32": - GITS = ["git.cmd", "git.exe"] - - # GIT_DIR can interfere with correct operation of Versioneer. - # It may be intended to be passed to the Versioneer-versioned project, - # but that should not change where we get our version from. - env = os.environ.copy() - env.pop("GIT_DIR", None) - runner = functools.partial(runner, env=env) - - _, rc = runner(GITS, ["rev-parse", "--git-dir"], cwd=root, hide_stderr=not verbose) - if rc != 0: - if verbose: - print("Directory %s not under git control" % root) - raise NotThisMethod("'git rev-parse --git-dir' returned error") - - # if there is a tag matching tag_prefix, this yields TAG-NUM-gHEX[-dirty] - # if there isn't one, this yields HEX[-dirty] (no NUM) - describe_out, rc = runner( - GITS, - [ - "describe", - "--tags", - "--dirty", - "--always", - "--long", - "--match", - f"{tag_prefix}[[:digit:]]*", - ], - cwd=root, - ) - # --long was added in git-1.5.5 - if describe_out is None: - raise NotThisMethod("'git describe' failed") - describe_out = describe_out.strip() - full_out, rc = runner(GITS, ["rev-parse", "HEAD"], cwd=root) - if full_out is None: - raise NotThisMethod("'git rev-parse' failed") - full_out = full_out.strip() - - pieces: Dict[str, Any] = {} - pieces["long"] = full_out - pieces["short"] = full_out[:7] # maybe improved later - pieces["error"] = None - - branch_name, rc = runner(GITS, ["rev-parse", "--abbrev-ref", "HEAD"], cwd=root) - # --abbrev-ref was added in git-1.6.3 - if rc != 0 or branch_name is None: - raise NotThisMethod("'git rev-parse --abbrev-ref' returned error") - branch_name = branch_name.strip() - - if branch_name == "HEAD": - # If we aren't exactly on a branch, pick a branch which represents - # the current commit. If all else fails, we are on a branchless - # commit. - branches, rc = runner(GITS, ["branch", "--contains"], cwd=root) - # --contains was added in git-1.5.4 - if rc != 0 or branches is None: - raise NotThisMethod("'git branch --contains' returned error") - branches = branches.split("\n") - - # Remove the first line if we're running detached - if "(" in branches[0]: - branches.pop(0) - - # Strip off the leading "* " from the list of branches. - branches = [branch[2:] for branch in branches] - if "master" in branches: - branch_name = "master" - elif not branches: - branch_name = None - else: - # Pick the first branch that is returned. Good or bad. - branch_name = branches[0] - - pieces["branch"] = branch_name - - # parse describe_out. It will be like TAG-NUM-gHEX[-dirty] or HEX[-dirty] - # TAG might have hyphens. - git_describe = describe_out - - # look for -dirty suffix - dirty = git_describe.endswith("-dirty") - pieces["dirty"] = dirty - if dirty: - git_describe = git_describe[: git_describe.rindex("-dirty")] - - # now we have TAG-NUM-gHEX or HEX - - if "-" in git_describe: - # TAG-NUM-gHEX - mo = re.search(r"^(.+)-(\d+)-g([0-9a-f]+)$", git_describe) - if not mo: - # unparsable. Maybe git-describe is misbehaving? - pieces["error"] = "unable to parse git-describe output: '%s'" % describe_out - return pieces - - # tag - full_tag = mo.group(1) - if not full_tag.startswith(tag_prefix): - if verbose: - fmt = "tag '%s' doesn't start with prefix '%s'" - print(fmt % (full_tag, tag_prefix)) - pieces["error"] = "tag '%s' doesn't start with prefix '%s'" % ( - full_tag, - tag_prefix, - ) - return pieces - pieces["closest-tag"] = full_tag[len(tag_prefix) :] - - # distance: number of commits since tag - pieces["distance"] = int(mo.group(2)) - - # commit: short hex revision ID - pieces["short"] = mo.group(3) - - else: - # HEX: no tags - pieces["closest-tag"] = None - out, rc = runner(GITS, ["rev-list", "HEAD", "--left-right"], cwd=root) - pieces["distance"] = len(out.split()) # total number of commits - - # commit date: see ISO-8601 comment in git_versions_from_keywords() - date = runner(GITS, ["show", "-s", "--format=%ci", "HEAD"], cwd=root)[0].strip() - # Use only the last line. Previous lines may contain GPG signature - # information. - date = date.splitlines()[-1] - pieces["date"] = date.strip().replace(" ", "T", 1).replace(" ", "", 1) - - return pieces - - -def plus_or_dot(pieces: Dict[str, Any]) -> str: - """Return a + if we don't already have one, else return a .""" - if "+" in pieces.get("closest-tag", ""): - return "." - return "+" - - -def render_pep440(pieces: Dict[str, Any]) -> str: - """Build up version string, with post-release "local version identifier". - - Our goal: TAG[+DISTANCE.gHEX[.dirty]] . Note that if you - get a tagged build and then dirty it, you'll get TAG+0.gHEX.dirty - - Exceptions: - 1: no tags. git_describe was just HEX. 0+untagged.DISTANCE.gHEX[.dirty] - """ - if pieces["closest-tag"]: - rendered = pieces["closest-tag"] - if pieces["distance"] or pieces["dirty"]: - rendered += plus_or_dot(pieces) - rendered += "%d.g%s" % (pieces["distance"], pieces["short"]) - if pieces["dirty"]: - rendered += ".dirty" - else: - # exception #1 - rendered = "0+untagged.%d.g%s" % (pieces["distance"], pieces["short"]) - if pieces["dirty"]: - rendered += ".dirty" - return rendered - - -def render_pep440_branch(pieces: Dict[str, Any]) -> str: - """TAG[[.dev0]+DISTANCE.gHEX[.dirty]] . - - The ".dev0" means not master branch. Note that .dev0 sorts backwards - (a feature branch will appear "older" than the master branch). - - Exceptions: - 1: no tags. 0[.dev0]+untagged.DISTANCE.gHEX[.dirty] - """ - if pieces["closest-tag"]: - rendered = pieces["closest-tag"] - if pieces["distance"] or pieces["dirty"]: - if pieces["branch"] != "master": - rendered += ".dev0" - rendered += plus_or_dot(pieces) - rendered += "%d.g%s" % (pieces["distance"], pieces["short"]) - if pieces["dirty"]: - rendered += ".dirty" - else: - # exception #1 - rendered = "0" - if pieces["branch"] != "master": - rendered += ".dev0" - rendered += "+untagged.%d.g%s" % (pieces["distance"], pieces["short"]) - if pieces["dirty"]: - rendered += ".dirty" - return rendered - - -def pep440_split_post(ver: str) -> Tuple[str, Optional[int]]: - """Split pep440 version string at the post-release segment. - - Returns the release segments before the post-release and the - post-release version number (or -1 if no post-release segment is present). - """ - vc = str.split(ver, ".post") - return vc[0], int(vc[1] or 0) if len(vc) == 2 else None - - -def render_pep440_pre(pieces: Dict[str, Any]) -> str: - """TAG[.postN.devDISTANCE] -- No -dirty. - - Exceptions: - 1: no tags. 0.post0.devDISTANCE - """ - if pieces["closest-tag"]: - if pieces["distance"]: - # update the post release segment - tag_version, post_version = pep440_split_post(pieces["closest-tag"]) - rendered = tag_version - if post_version is not None: - rendered += ".post%d.dev%d" % (post_version + 1, pieces["distance"]) - else: - rendered += ".post0.dev%d" % (pieces["distance"]) - else: - # no commits, use the tag as the version - rendered = pieces["closest-tag"] - else: - # exception #1 - rendered = "0.post0.dev%d" % pieces["distance"] - return rendered - - -def render_pep440_post(pieces: Dict[str, Any]) -> str: - """TAG[.postDISTANCE[.dev0]+gHEX] . - - The ".dev0" means dirty. Note that .dev0 sorts backwards - (a dirty tree will appear "older" than the corresponding clean one), - but you shouldn't be releasing software with -dirty anyways. - - Exceptions: - 1: no tags. 0.postDISTANCE[.dev0] - """ - if pieces["closest-tag"]: - rendered = pieces["closest-tag"] - if pieces["distance"] or pieces["dirty"]: - rendered += ".post%d" % pieces["distance"] - if pieces["dirty"]: - rendered += ".dev0" - rendered += plus_or_dot(pieces) - rendered += "g%s" % pieces["short"] - else: - # exception #1 - rendered = "0.post%d" % pieces["distance"] - if pieces["dirty"]: - rendered += ".dev0" - rendered += "+g%s" % pieces["short"] - return rendered - - -def render_pep440_post_branch(pieces: Dict[str, Any]) -> str: - """TAG[.postDISTANCE[.dev0]+gHEX[.dirty]] . - - The ".dev0" means not master branch. - - Exceptions: - 1: no tags. 0.postDISTANCE[.dev0]+gHEX[.dirty] - """ - if pieces["closest-tag"]: - rendered = pieces["closest-tag"] - if pieces["distance"] or pieces["dirty"]: - rendered += ".post%d" % pieces["distance"] - if pieces["branch"] != "master": - rendered += ".dev0" - rendered += plus_or_dot(pieces) - rendered += "g%s" % pieces["short"] - if pieces["dirty"]: - rendered += ".dirty" - else: - # exception #1 - rendered = "0.post%d" % pieces["distance"] - if pieces["branch"] != "master": - rendered += ".dev0" - rendered += "+g%s" % pieces["short"] - if pieces["dirty"]: - rendered += ".dirty" - return rendered - - -def render_pep440_old(pieces: Dict[str, Any]) -> str: - """TAG[.postDISTANCE[.dev0]] . - - The ".dev0" means dirty. - - Exceptions: - 1: no tags. 0.postDISTANCE[.dev0] - """ - if pieces["closest-tag"]: - rendered = pieces["closest-tag"] - if pieces["distance"] or pieces["dirty"]: - rendered += ".post%d" % pieces["distance"] - if pieces["dirty"]: - rendered += ".dev0" - else: - # exception #1 - rendered = "0.post%d" % pieces["distance"] - if pieces["dirty"]: - rendered += ".dev0" - return rendered - - -def render_git_describe(pieces: Dict[str, Any]) -> str: - """TAG[-DISTANCE-gHEX][-dirty]. - - Like 'git describe --tags --dirty --always'. - - Exceptions: - 1: no tags. HEX[-dirty] (note: no 'g' prefix) - """ - if pieces["closest-tag"]: - rendered = pieces["closest-tag"] - if pieces["distance"]: - rendered += "-%d-g%s" % (pieces["distance"], pieces["short"]) - else: - # exception #1 - rendered = pieces["short"] - if pieces["dirty"]: - rendered += "-dirty" - return rendered - - -def render_git_describe_long(pieces: Dict[str, Any]) -> str: - """TAG-DISTANCE-gHEX[-dirty]. - - Like 'git describe --tags --dirty --always -long'. - The distance/hash is unconditional. - - Exceptions: - 1: no tags. HEX[-dirty] (note: no 'g' prefix) - """ - if pieces["closest-tag"]: - rendered = pieces["closest-tag"] - rendered += "-%d-g%s" % (pieces["distance"], pieces["short"]) - else: - # exception #1 - rendered = pieces["short"] - if pieces["dirty"]: - rendered += "-dirty" - return rendered - - -def render(pieces: Dict[str, Any], style: str) -> Dict[str, Any]: - """Render the given version pieces into the requested style.""" - if pieces["error"]: - return { - "version": "unknown", - "full-revisionid": pieces.get("long"), - "dirty": None, - "error": pieces["error"], - "date": None, - } - - if not style or style == "default": - style = "pep440" # the default - - if style == "pep440": - rendered = render_pep440(pieces) - elif style == "pep440-branch": - rendered = render_pep440_branch(pieces) - elif style == "pep440-pre": - rendered = render_pep440_pre(pieces) - elif style == "pep440-post": - rendered = render_pep440_post(pieces) - elif style == "pep440-post-branch": - rendered = render_pep440_post_branch(pieces) - elif style == "pep440-old": - rendered = render_pep440_old(pieces) - elif style == "git-describe": - rendered = render_git_describe(pieces) - elif style == "git-describe-long": - rendered = render_git_describe_long(pieces) - else: - raise ValueError("unknown style '%s'" % style) - - return { - "version": rendered, - "full-revisionid": pieces["long"], - "dirty": pieces["dirty"], - "error": None, - "date": pieces.get("date"), - } - - -def get_versions() -> Dict[str, Any]: - """Get version information or return default if unable to do so.""" - # I am in _version.py, which lives at ROOT/VERSIONFILE_SOURCE. If we have - # __file__, we can work backwards from there to the root. Some - # py2exe/bbfreeze/non-CPython implementations don't do __file__, in which - # case we can only use expanded keywords. - - cfg = get_config() - verbose = cfg.verbose - - try: - return git_versions_from_keywords(get_keywords(), cfg.tag_prefix, verbose) - except NotThisMethod: - pass - - try: - root = os.path.realpath(__file__) - # versionfile_source is the relative path from the top of the source - # tree (where the .git directory might live) to this file. Invert - # this to find the root from __file__. - for _ in cfg.versionfile_source.split("/"): - root = os.path.dirname(root) - except NameError: - return { - "version": "0+unknown", - "full-revisionid": None, - "dirty": None, - "error": "unable to find root of source tree", - "date": None, - } - - try: - pieces = git_pieces_from_vcs(cfg.tag_prefix, root, verbose) - return render(pieces, cfg.style) - except NotThisMethod: - pass - - try: - if cfg.parentdir_prefix: - return versions_from_parentdir(cfg.parentdir_prefix, root, verbose) - except NotThisMethod: - pass - - return { - "version": "0+unknown", - "full-revisionid": None, - "dirty": None, - "error": "unable to compute version", - "date": None, - } diff --git a/pyproject.toml b/pyproject.toml index ca3cec4..bc43376 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,11 +1,10 @@ [build-system] requires = [ + "hatchling==1.27.0", + "hatch-vcs==0.5.0", "numpy", - "setuptools>=68.0.0", - "versioneer[toml]==0.29", - ] -build-backend = "setuptools.build_meta" +build-backend = "hatchling.build" [project] name = "pyiron_module_template" @@ -39,21 +38,30 @@ Homepage = "https://pyiron.org/" Documentation = "https://pyiron_module_template.readthedocs.io" Repository = "https://github.com/pyiron/pyiron_module_template" -[tool.versioneer] -VCS = "git" -style = "pep440-pre" -versionfile_source = "pyiron_module_template/_version.py" -parentdir_prefix = "pyiron_module_template" -tag_prefix = "pyiron_module_template-" +[tool.hatch.build] +include = [ + "pyiron_module_template" +] + +[tool.hatch.build.hooks.vcs] +version-file = "pyiron_module_template/_version.py" -[tool.setuptools.packages.find] -include = [ "pyiron_module_template*",] +[tool.hatch.build.targets.sdist] +include = [ + "pyiron_module_template" +] + +[tool.hatch.build.targets.wheel] +packages = [ + "pyiron_module_template" +] -[tool.setuptools.dynamic.version] -attr = "pyiron_module_template.__version__" +[tool.hatch.version] +source = "vcs" +path = "pyiron_module_template/_version.py" [tool.ruff] -exclude = ["docs", "notebooks", "setup.py", "_version.py"] +exclude = ["docs", "notebooks"] [tool.ruff.lint] select = [ diff --git a/setup.py b/setup.py deleted file mode 100644 index fcbb31f..0000000 --- a/setup.py +++ /dev/null @@ -1,8 +0,0 @@ -from setuptools import setup - -import versioneer - -setup( - version=versioneer.get_version(), - cmdclass=versioneer.get_cmdclass(), -) From e4c64cbcc5cd1b7909995fec04de210b3fbc0234 Mon Sep 17 00:00:00 2001 From: pyiron-runner Date: Thu, 2 Oct 2025 18:27:06 +0000 Subject: [PATCH 02/11] [dependabot skip] Update env file --- .binder/environment.yml | 4 +++- docs/environment.yml | 4 +++- 2 files changed, 6 insertions(+), 2 deletions(-) diff --git a/.binder/environment.yml b/.binder/environment.yml index 4ca0bbd..2dcae64 100644 --- a/.binder/environment.yml +++ b/.binder/environment.yml @@ -1,5 +1,7 @@ channels: - conda-forge dependencies: +- hatchling =1.27.0 +- hatch-vcs =0.5.0 - numpy =2.3.1 -- setuptools >=68 +- python >=3.11,<3.14 diff --git a/docs/environment.yml b/docs/environment.yml index 6944409..d3461c5 100644 --- a/docs/environment.yml +++ b/docs/environment.yml @@ -7,5 +7,7 @@ dependencies: - sphinx-gallery - sphinx-rtd-theme - versioneer +- hatchling =1.27.0 +- hatch-vcs =0.5.0 - numpy =2.3.1 -- setuptools >=68 +- python >=3.11,<3.14 From 4e962be166b95c7d193c2bf22be28952ab6b0401 Mon Sep 17 00:00:00 2001 From: liamhuber Date: Thu, 2 Oct 2025 11:36:50 -0700 Subject: [PATCH 03/11] Add hatch deps to lower bounds env Signed-off-by: liamhuber --- .ci_support/lower-bounds.yml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/.ci_support/lower-bounds.yml b/.ci_support/lower-bounds.yml index 7ecc964..db4b5f3 100644 --- a/.ci_support/lower-bounds.yml +++ b/.ci_support/lower-bounds.yml @@ -1,6 +1,8 @@ channels: - conda-forge dependencies: + - hatchling =1.27.0 + - hatch-vcs =0.5.0 - numpy =2.3.0 - python =3.11 From 1e2d4cb25469d4f83194736e45c8b9a6bcd8811a Mon Sep 17 00:00:00 2001 From: liamhuber Date: Thu, 2 Oct 2025 11:44:53 -0700 Subject: [PATCH 04/11] Don't tell readthedocs to install versioneer I'm getting a somewhat opaque error building the docs: raise CalledProcessError(retcode, process.args, output=stdout, stderr=stderr) subprocess.CalledProcessError: Command 'python -c 'import versioneer; print(versioneer.get_version())'' returned non-zero exit status 1. However, when I compare to bagofholding -- which already uses hatch and builds its docs fine -- I can see that this line has been removed from the .readthedocs.yml config. So for now let's be very practical and just try synchronizing with what's already working. Signed-off-by: liamhuber --- .readthedocs.yml | 1 - 1 file changed, 1 deletion(-) diff --git a/.readthedocs.yml b/.readthedocs.yml index 4829cbc..94a64a8 100644 --- a/.readthedocs.yml +++ b/.readthedocs.yml @@ -11,7 +11,6 @@ build: python: "mambaforge-22.9" jobs: pre_build: - - pip install versioneer[toml]==0.29 - pip install . --no-deps --no-build-isolation # Build documentation in the docs/ directory with Sphinx From a06800a6fd3b6cd81bbb6f5cdd31271d969ff33d Mon Sep 17 00:00:00 2001 From: liamhuber Date: Thu, 2 Oct 2025 11:54:29 -0700 Subject: [PATCH 05/11] Update docs/conf.py Sphinx was just configured to wrongly use versioneer; reference the module version directly. Signed-off-by: liamhuber --- docs/conf.py | 13 ++++--------- 1 file changed, 4 insertions(+), 9 deletions(-) diff --git a/docs/conf.py b/docs/conf.py index 33c11e5..22eb423 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -17,6 +17,8 @@ import subprocess from sphinx.ext.apidoc import main +import pyiron_module_template + # If extensions (or modules to document with autodoc) are in another directory, # add these directories to sys.path here. If the directory is relative to the # documentation root, use os.path.abspath to make it absolute, like shown here. @@ -51,7 +53,6 @@ "source/notebooks/example": "_static/pyiron-logo-dark.png", } -# The suffix of source filenames. # The suffix of source filenames. source_suffix = {".rst": "restructuredtext", ".md": "markdown"} @@ -73,14 +74,8 @@ # built documents. # # The short X.Y version. -version_full = subprocess.check_output( - "python -c 'import versioneer; print(versioneer.get_version())'", - cwd=os.path.join(os.path.curdir, ".."), - universal_newlines=True, - shell=True, -) -version_full = version_full.split("\n")[0] -version = ".".join(version_full.split(".")[0:2]) +version_full = pyiron_module_template.__version__ +version = '.'.join(version_full.split('.')[:2]) # The full version, including alpha/beta/rc tags. release = version_full From f6060b84fa361636b1f5bb8423fff23a17f07486 Mon Sep 17 00:00:00 2001 From: liamhuber Date: Fri, 3 Oct 2025 07:22:08 -0700 Subject: [PATCH 06/11] [nit] Keep binder dir clean in perpetuity, but using a storage list instead of a deletion list Signed-off-by: liamhuber --- .binder/postBuild | 47 +++++++++++++++++++---------------------------- 1 file changed, 19 insertions(+), 28 deletions(-) diff --git a/.binder/postBuild b/.binder/postBuild index 5470078..5aab5b5 100644 --- a/.binder/postBuild +++ b/.binder/postBuild @@ -1,29 +1,20 @@ -# pip install main -pip install --no-deps . -# Note: This produces build and pyiron_module_template.egg-info directories +#!/bin/bash +pip install . --no-deps --no-build-isolation -# clean up -if [ -d "notebooks" ]; then - mv notebooks/* . -fi -if [ -d "${HOME}/pyiron_module_template" ]; then - rm -r ${HOME}/.binder \ - ${HOME}/.ci_support \ - ${HOME}/.github \ - ${HOME}/build \ - ${HOME}/docs \ - ${HOME}/notebooks \ - ${HOME}/pyiron_module_template \ - ${HOME}/pyiron_module_template.egg-info \ - ${HOME}/tests \ - ${HOME}/.gitattributes \ - ${HOME}/.gitignore \ - ${HOME}/.gitpod \ - ${HOME}/.readthedocs.yml \ - ${HOME}/CODE_OF_CONDUCT.md \ - ${HOME}/CONTRIBUTING.rst \ - ${HOME}/LICENSE \ - ${HOME}/MANIFEST.in \ - ${HOME}/pyproject.toml \ - ${HOME}/setup.py -fi +# Save the stuff we actually need for binder +KEEP=("notebooks") +mkdir -p ${HOME}/.temp_keep +for item in "${KEEP[@]}"; do + [ -e "${HOME}/${item}" ] && mv "${HOME}/${item}" ${HOME}/.temp_keep/ +done + +# Now clean up everything else +find ${HOME} -mindepth 1 -maxdepth 1 ! -name '.temp_keep' -exec rm -rf {} + + +# Restore the kept material +mv ${HOME}/.temp_keep/* ${HOME}/ +rmdir ${HOME}/.temp_keep + +# Manipulate kept material +mv ${HOME}/notebooks/* ${HOME} +rmdir ${HOME}/notebooks From 264eb84e0da816cf0d7ffc43d3dafa33a4807f0a Mon Sep 17 00:00:00 2001 From: pyiron-runner Date: Tue, 14 Oct 2025 15:33:31 +0000 Subject: [PATCH 07/11] [dependabot skip] Update env file --- .binder/environment.yml | 4 +--- docs/environment.yml | 4 +--- 2 files changed, 2 insertions(+), 6 deletions(-) diff --git a/.binder/environment.yml b/.binder/environment.yml index d06365f..4543c03 100644 --- a/.binder/environment.yml +++ b/.binder/environment.yml @@ -1,7 +1,5 @@ channels: - conda-forge dependencies: -- hatchling =1.27.0 -- hatch-vcs =0.5.0 -- numpy =2.3.3 +- hatchling =1.27.0 - hatch-vcs =0.5.0 - numpy =2.3.3 - python >=3.11,<3.14 diff --git a/docs/environment.yml b/docs/environment.yml index caec558..ac5d8bf 100644 --- a/docs/environment.yml +++ b/docs/environment.yml @@ -7,7 +7,5 @@ dependencies: - sphinx-gallery - sphinx-rtd-theme - versioneer -- hatchling =1.27.0 -- hatch-vcs =0.5.0 -- numpy =2.3.3 +- hatchling =1.27.0 - hatch-vcs =0.5.0 - numpy =2.3.3 - python >=3.11,<3.14 From 321e36d1e99edd65a44ee97783cdd51840d6abeb Mon Sep 17 00:00:00 2001 From: liamhuber Date: Tue, 14 Oct 2025 08:36:11 -0700 Subject: [PATCH 08/11] Make env indentation consistent Signed-off-by: liamhuber --- .ci_support/environment.yml | 4 ++-- .ci_support/lower-bounds.yml | 10 +++++----- 2 files changed, 7 insertions(+), 7 deletions(-) diff --git a/.ci_support/environment.yml b/.ci_support/environment.yml index 8e781b3..d06365f 100644 --- a/.ci_support/environment.yml +++ b/.ci_support/environment.yml @@ -2,6 +2,6 @@ channels: - conda-forge dependencies: - hatchling =1.27.0 - - hatch-vcs =0.5.0 - - numpy =2.3.3 +- hatch-vcs =0.5.0 +- numpy =2.3.3 - python >=3.11,<3.14 diff --git a/.ci_support/lower-bounds.yml b/.ci_support/lower-bounds.yml index db4b5f3..1b2ad8b 100644 --- a/.ci_support/lower-bounds.yml +++ b/.ci_support/lower-bounds.yml @@ -1,8 +1,8 @@ channels: - - conda-forge +- conda-forge dependencies: - - hatchling =1.27.0 - - hatch-vcs =0.5.0 - - numpy =2.3.0 - - python =3.11 +- hatchling =1.27.0 +- hatch-vcs =0.5.0 +- numpy =2.3.0 +- python =3.11 From cb7e54a0b321f03d431e317e06ded91c30cf622b Mon Sep 17 00:00:00 2001 From: liamhuber Date: Tue, 14 Oct 2025 08:36:36 -0700 Subject: [PATCH 09/11] Bump actions tag Signed-off-by: liamhuber --- .github/workflows/daily.yml | 2 +- .github/workflows/dependabot-pr.yml | 2 +- .github/workflows/pr-labeled.yml | 2 +- .github/workflows/pr-target-opened.yml | 2 +- .github/workflows/push-pull.yml | 2 +- .github/workflows/release.yml | 2 +- .github/workflows/weekly.yml | 2 +- 7 files changed, 7 insertions(+), 7 deletions(-) diff --git a/.github/workflows/daily.yml b/.github/workflows/daily.yml index 139bdb8..cf55eed 100644 --- a/.github/workflows/daily.yml +++ b/.github/workflows/daily.yml @@ -8,5 +8,5 @@ on: jobs: codeql: - uses: pyiron/actions/.github/workflows/tests-and-coverage.yml@actions-4.0.8 + uses: pyiron/actions/.github/workflows/tests-and-coverage.yml@actions-4.0.9 secrets: inherit diff --git a/.github/workflows/dependabot-pr.yml b/.github/workflows/dependabot-pr.yml index 0866650..9f52893 100644 --- a/.github/workflows/dependabot-pr.yml +++ b/.github/workflows/dependabot-pr.yml @@ -6,5 +6,5 @@ on: jobs: pyiron: - uses: pyiron/actions/.github/workflows/dependabot-pr.yml@actions-4.0.8 + uses: pyiron/actions/.github/workflows/dependabot-pr.yml@actions-4.0.9 secrets: inherit diff --git a/.github/workflows/pr-labeled.yml b/.github/workflows/pr-labeled.yml index 9bbf254..e2d35ea 100644 --- a/.github/workflows/pr-labeled.yml +++ b/.github/workflows/pr-labeled.yml @@ -8,5 +8,5 @@ on: jobs: pyiron: - uses: pyiron/actions/.github/workflows/pr-labeled.yml@actions-4.0.8 + uses: pyiron/actions/.github/workflows/pr-labeled.yml@actions-4.0.9 secrets: inherit diff --git a/.github/workflows/pr-target-opened.yml b/.github/workflows/pr-target-opened.yml index 0e2f7ff..024d571 100644 --- a/.github/workflows/pr-target-opened.yml +++ b/.github/workflows/pr-target-opened.yml @@ -8,5 +8,5 @@ on: jobs: pyiron: - uses: pyiron/actions/.github/workflows/pr-target-opened.yml@actions-4.0.8 + uses: pyiron/actions/.github/workflows/pr-target-opened.yml@actions-4.0.9 secrets: inherit diff --git a/.github/workflows/push-pull.yml b/.github/workflows/push-pull.yml index 8ac5ef5..d3fa55d 100644 --- a/.github/workflows/push-pull.yml +++ b/.github/workflows/push-pull.yml @@ -9,7 +9,7 @@ on: jobs: pyiron: - uses: pyiron/actions/.github/workflows/push-pull.yml@actions-4.0.8 + uses: pyiron/actions/.github/workflows/push-pull.yml@actions-4.0.9 secrets: inherit with: do-coveralls: false diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml index d97a757..05078cc 100644 --- a/.github/workflows/release.yml +++ b/.github/workflows/release.yml @@ -7,7 +7,7 @@ on: jobs: hatch-release: - uses: pyiron/actions/.github/workflows/hatch-release.yml@actions-4.0.8 + uses: pyiron/actions/.github/workflows/hatch-release.yml@actions-4.0.9 secrets: inherit with: semantic-upper-bound: 'minor' diff --git a/.github/workflows/weekly.yml b/.github/workflows/weekly.yml index 19958b6..2f4bbb9 100644 --- a/.github/workflows/weekly.yml +++ b/.github/workflows/weekly.yml @@ -8,5 +8,5 @@ on: jobs: codeql: - uses: pyiron/actions/.github/workflows/codeql.yml@actions-4.0.8 + uses: pyiron/actions/.github/workflows/codeql.yml@actions-4.0.9 secrets: inherit From b89ed19489b270121e6b98d3f8baea4c06d3bc71 Mon Sep 17 00:00:00 2001 From: pyiron-runner Date: Tue, 14 Oct 2025 15:37:14 +0000 Subject: [PATCH 10/11] [dependabot skip] Update env file --- .binder/environment.yml | 4 +++- docs/environment.yml | 4 +++- 2 files changed, 6 insertions(+), 2 deletions(-) diff --git a/.binder/environment.yml b/.binder/environment.yml index 4543c03..d06365f 100644 --- a/.binder/environment.yml +++ b/.binder/environment.yml @@ -1,5 +1,7 @@ channels: - conda-forge dependencies: -- hatchling =1.27.0 - hatch-vcs =0.5.0 - numpy =2.3.3 +- hatchling =1.27.0 +- hatch-vcs =0.5.0 +- numpy =2.3.3 - python >=3.11,<3.14 diff --git a/docs/environment.yml b/docs/environment.yml index ac5d8bf..caec558 100644 --- a/docs/environment.yml +++ b/docs/environment.yml @@ -7,5 +7,7 @@ dependencies: - sphinx-gallery - sphinx-rtd-theme - versioneer -- hatchling =1.27.0 - hatch-vcs =0.5.0 - numpy =2.3.3 +- hatchling =1.27.0 +- hatch-vcs =0.5.0 +- numpy =2.3.3 - python >=3.11,<3.14 From 776e16f1755bd1482a6bbad02cf834120345751f Mon Sep 17 00:00:00 2001 From: liamhuber Date: Tue, 14 Oct 2025 09:03:54 -0700 Subject: [PATCH 11/11] Bump actions Signed-off-by: liamhuber --- .github/workflows/daily.yml | 2 +- .github/workflows/dependabot-pr.yml | 2 +- .github/workflows/pr-labeled.yml | 2 +- .github/workflows/pr-target-opened.yml | 2 +- .github/workflows/push-pull.yml | 2 +- .github/workflows/release.yml | 2 +- .github/workflows/weekly.yml | 2 +- 7 files changed, 7 insertions(+), 7 deletions(-) diff --git a/.github/workflows/daily.yml b/.github/workflows/daily.yml index cf55eed..fd620c1 100644 --- a/.github/workflows/daily.yml +++ b/.github/workflows/daily.yml @@ -8,5 +8,5 @@ on: jobs: codeql: - uses: pyiron/actions/.github/workflows/tests-and-coverage.yml@actions-4.0.9 + uses: pyiron/actions/.github/workflows/tests-and-coverage.yml@actions-4.0.10 secrets: inherit diff --git a/.github/workflows/dependabot-pr.yml b/.github/workflows/dependabot-pr.yml index 9f52893..c6c29f9 100644 --- a/.github/workflows/dependabot-pr.yml +++ b/.github/workflows/dependabot-pr.yml @@ -6,5 +6,5 @@ on: jobs: pyiron: - uses: pyiron/actions/.github/workflows/dependabot-pr.yml@actions-4.0.9 + uses: pyiron/actions/.github/workflows/dependabot-pr.yml@actions-4.0.10 secrets: inherit diff --git a/.github/workflows/pr-labeled.yml b/.github/workflows/pr-labeled.yml index e2d35ea..bc56d1d 100644 --- a/.github/workflows/pr-labeled.yml +++ b/.github/workflows/pr-labeled.yml @@ -8,5 +8,5 @@ on: jobs: pyiron: - uses: pyiron/actions/.github/workflows/pr-labeled.yml@actions-4.0.9 + uses: pyiron/actions/.github/workflows/pr-labeled.yml@actions-4.0.10 secrets: inherit diff --git a/.github/workflows/pr-target-opened.yml b/.github/workflows/pr-target-opened.yml index 024d571..8b852de 100644 --- a/.github/workflows/pr-target-opened.yml +++ b/.github/workflows/pr-target-opened.yml @@ -8,5 +8,5 @@ on: jobs: pyiron: - uses: pyiron/actions/.github/workflows/pr-target-opened.yml@actions-4.0.9 + uses: pyiron/actions/.github/workflows/pr-target-opened.yml@actions-4.0.10 secrets: inherit diff --git a/.github/workflows/push-pull.yml b/.github/workflows/push-pull.yml index d3fa55d..5abc28d 100644 --- a/.github/workflows/push-pull.yml +++ b/.github/workflows/push-pull.yml @@ -9,7 +9,7 @@ on: jobs: pyiron: - uses: pyiron/actions/.github/workflows/push-pull.yml@actions-4.0.9 + uses: pyiron/actions/.github/workflows/push-pull.yml@actions-4.0.10 secrets: inherit with: do-coveralls: false diff --git a/.github/workflows/release.yml b/.github/workflows/release.yml index 05078cc..5c0743f 100644 --- a/.github/workflows/release.yml +++ b/.github/workflows/release.yml @@ -7,7 +7,7 @@ on: jobs: hatch-release: - uses: pyiron/actions/.github/workflows/hatch-release.yml@actions-4.0.9 + uses: pyiron/actions/.github/workflows/hatch-release.yml@actions-4.0.10 secrets: inherit with: semantic-upper-bound: 'minor' diff --git a/.github/workflows/weekly.yml b/.github/workflows/weekly.yml index 2f4bbb9..48e01bd 100644 --- a/.github/workflows/weekly.yml +++ b/.github/workflows/weekly.yml @@ -8,5 +8,5 @@ on: jobs: codeql: - uses: pyiron/actions/.github/workflows/codeql.yml@actions-4.0.9 + uses: pyiron/actions/.github/workflows/codeql.yml@actions-4.0.10 secrets: inherit