Use hatchling as build system

.binder/environment.yml

@@ -1,5 +1,7 @@
 channels:
 - conda-forge
 dependencies:
+- hatchling =1.27.0
+- hatch-vcs =0.5.0
 - numpy =2.3.3
-- setuptools >=68
+- python >=3.11,<3.14

.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

.ci_support/environment.yml

@@ -1,5 +1,7 @@
 channels:
 - conda-forge
 dependencies:
+- hatchling =1.27.0
+- hatch-vcs =0.5.0
 - numpy =2.3.3
-- setuptools >=68
+- python >=3.11,<3.14

.ci_support/lower-bounds.yml

@@ -1,6 +1,8 @@
 channels:
-  - conda-forge
+- conda-forge
 dependencies:
-  - numpy =2.3.0
-  - python =3.11
+- hatchling =1.27.0
+- hatch-vcs =0.5.0
+- numpy =2.3.0
+- python =3.11
 

.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-4.0.10
     secrets: inherit

.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-4.0.10
     secrets: inherit

.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-4.0.10
     secrets: inherit

.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-4.0.10
     secrets: inherit

.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-4.0.10
     secrets: inherit
     with:
       do-coveralls: false

.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-4.0.10
+    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' }}

.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-4.0.10
     secrets: inherit

.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

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
 

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
-- setuptools >=68
+- python >=3.11,<3.14

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"