Merge pull request #761 from pyiron/hatchling

Use hatchling as build system

Author: liamhuber

.binder/environment.yml

@@ -6,14 +6,14 @@ dependencies:
 - cloudpickle =3.1.1
 - executorlib =1.7.1
 - graphviz =9.0.0
+- hatchling =1.27.0
+- hatch-vcs =0.5.0
 - pandas =2.3.2
 - pint =0.25
 - pyiron_snippets =0.2.0
 - python >=3.11,<3.14
 - python-graphviz =0.21
 - rdflib =7.1.4
 - semantikon =0.0.22
-- setuptools>=68
 - toposort =1.10
 - typeguard =4.4.4
-- wheel

.ci_support/environment.yml

@@ -6,14 +6,14 @@ dependencies:
 - cloudpickle =3.1.1
 - executorlib =1.7.1
 - graphviz =9.0.0
+- hatchling =1.27.0
+- hatch-vcs =0.5.0
 - pandas =2.3.2
 - pint =0.25
 - pyiron_snippets =0.2.0
 - python >=3.11,<3.14
 - python-graphviz =0.21
 - rdflib =7.1.4
 - semantikon =0.0.22
-- setuptools>=68
 - toposort =1.10
 - typeguard =4.4.4
-- wheel

.ci_support/lower_bound.yml

@@ -8,6 +8,8 @@ dependencies:
 - cloudpickle =3.0.0
 - executorlib =1.5.3
 - graphviz =9.0.0
+- hatchling =1.27.0
+- hatch-vcs =0.5.0
 - pandas =2.2.2
 - pint =0.24
 - python =3.11

.github/workflows/release.yml

@@ -2,15 +2,15 @@
 name: Release
 
 on:
-#  pull_request:
+  pull_request:
   release:
     types: [ published ]
 
 jobs:
   pyiron:
-    uses: pyiron/actions/.github/workflows/pyproject-release.yml@actions-4.0.8
+    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_bound.yml'
-#      publish-to-pypi: false
+      publish-to-pypi: ${{ github.event_name == 'release' && github.event.action == 'published' }}

.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

@@ -18,6 +18,8 @@
 import subprocess
 from sphinx.ext.apidoc import main
 
+import pyiron_workflow
+
 # 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.
@@ -48,6 +50,10 @@
 # Add any paths that contain templates here, relative to this directory.
 templates_path = ['_templates']
 
+nbsphinx_thumbnails = {
+    'source/notebooks/example': "_static/pyiron-logo-dark.png",
+}
+
 # The suffix of source filenames.
 source_suffix = {
     '.rst': 'restructuredtext',
@@ -62,22 +68,16 @@
 
 # General information about the project.
 project = u'pyiron_workflow'
-copyright = u'2021, Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department ' \
+copyright = u'2024, Max-Planck-Institut für Nachhaltige Materialien GmbH - Computational Materials Design (CM) Department ' \
             u'All rights reserved'
 
 # The version info for the project you're documenting, acts as replacement for
 # |version| and |release|, also used in various other places throughout the
 # 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_workflow.__version__
+version = '.'.join(version_full.split('.')[:2])
 # The full version, including alpha/beta/rc tags.
 release = version_full
 
@@ -240,7 +240,7 @@
 #  author, documentclass [howto, manual, or own class]).
 latex_documents = [
   ('index', 'pyiron_workflow.tex', u'pyiron_workflow Documentation',
-   u'Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department', 'manual'),
+   u'Max-Planck-Institut für Nachhaltige Materialien GmbH - Computational Materials Design (CM) Department', 'manual'),
 ]
 
 # The name of an image file (relative to this directory) to place at the top of
@@ -272,7 +272,7 @@
     ('index',
      'pyiron_workflow',
      u'pyiron_workflow Documentation',
-     [u'Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department'], 1)
+     [u'Max-Planck-Institut für Nachhaltige Materialien GmbH - Computational Materials Design (CM) Department'], 1)
 ]
 
 # If true, show URL addresses after external links.
@@ -288,7 +288,7 @@
   ('index',
    'pyiron_workflow',
    u'pyiron_workflow Documentation',
-   u'Max-Planck-Institut für Eisenforschung GmbH - Computational Materials Design (CM) Department',
+   u'Max-Planck-Institut für Nachhaltige Materialien GmbH - Computational Materials Design (CM) Department',
    'pyiron_workflow',
    'Graph-based workflow management.',
    'Miscellaneous'),

docs/environment.yml

@@ -12,14 +12,14 @@ dependencies:
 - cloudpickle =3.1.1
 - executorlib =1.7.1
 - graphviz =9.0.0
+- hatchling =1.27.0
+- hatch-vcs =0.5.0
 - pandas =2.3.2
 - pint =0.25
 - pyiron_snippets =0.2.0
 - python >=3.11,<3.14
 - python-graphviz =0.21
 - rdflib =7.1.4
 - semantikon =0.0.22
-- setuptools>=68
 - toposort =1.10
 - typeguard =4.4.4
-- wheel

pyiron_workflow/__init__.py

@@ -22,9 +22,14 @@
     guided workflow design
 """
 
-from ._version import get_versions
+import importlib.metadata
 
-__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"
 
 # User API