Merge pull request #1793 from pyiron/hatch

Transition from versioneer to hatchling

Author: jan-janssen

.ci_support/environment-docs.yml

@@ -31,3 +31,5 @@ dependencies:
 - pyxtal =0.6.2
 - jupyter-book =1.0.0
 - sphinx_parser =0.0.3
+- hatchling =1.27.0
+- hatch-vcs =0.5.0

.ci_support/environment-old.yml

@@ -27,3 +27,5 @@ dependencies:
 - spglib =2.0.2
 - structuretoolkit =0.0.29
 - sphinx_parser =0.0.1
+- hatchling =1.27.0
+- hatch-vcs =0.5.0

.ci_support/environment.yml

@@ -27,3 +27,5 @@ dependencies:
 - structuretoolkit =0.0.34
 - sphinx_parser =0.0.3
 - pyxtal =0.6.2
+- hatchling =1.27.0
+- hatch-vcs =0.5.0

.ci_support/test_backwards.sh

@@ -7,7 +7,6 @@ for t in tests/backwards/*save.py; do
     python $t
 done
 
-pip install versioneer[toml]==0.29
 pip install . --no-deps --no-build-isolation
 i=0;
 echo "Before loading";

.github/workflows/deploy.yml

@@ -27,14 +27,12 @@ jobs:
         miniforge-version: latest
         condarc-file: .condarc
         environment-file: .ci_support/environment.yml
-    - name: Convert dependencies
-      run: |
-        cp .ci_support/environment-old.yml environment.yml
-        python .ci_support/release.py; cat pyproject.toml
     - name: Build
       shell: bash -l {0}
       run: |
-        pip install versioneer[toml]==0.29
-        python setup.py sdist bdist_wheel
+        cp .ci_support/environment-old.yml environment.yml
+        python .ci_support/release.py; cat pyproject.toml
+        git update-index --assume-unchanged pyproject.toml pyiron_atomistics/_version.py
+        hatchling build -t sdist -t wheel
     - name: Publish distribution 📦 to PyPI
       uses: pypa/gh-action-pypi-publish@release/v1

.github/workflows/integration.yml

@@ -33,6 +33,5 @@ jobs:
       - name: Test
         shell: bash -l {0}
         run: |
-          pip install versioneer[toml]==0.29
           pip install . --no-deps --no-build-isolation
           ./.ci_support/build_integration_notebooks.sh

.github/workflows/pipeline.yml

@@ -58,7 +58,6 @@ jobs:
     - name: Pip check
       shell: bash -l {0}
       run: |
-        pip install versioneer[toml]==0.29
         pip install . --no-deps --no-build-isolation
         pip check
 
@@ -117,7 +116,6 @@ jobs:
         timeout-minutes: 30
         run: |
           python .ci_support/pyironconfig.py
-          pip install versioneer[toml]==0.29
           pip install . --no-deps --no-build-isolation
           python -m unittest discover test_benchmarks
 
@@ -141,7 +139,6 @@ jobs:
       - name: Test
         shell: bash -l {0}
         run: |
-          pip install versioneer[toml]==0.29
           pip install . --no-deps --no-build-isolation
           ./.ci_support/build_notebooks.sh
 
@@ -184,9 +181,8 @@ jobs:
         timeout-minutes: 30
         run: |
           python .ci_support/pyironconfig.py
-          pip install versioneer[toml]==0.29
           pip install . --no-deps --no-build-isolation
-          coverage run --omit="pyiron_atomistics/_version.py,tests/*" -m unittest discover tests
+          coverage run
           coverage xml
       - name: Upload coverage reports to Codecov
         if: matrix.label == 'linux-64-py-3-12'
@@ -213,7 +209,6 @@ jobs:
       timeout-minutes: 30
       run: |
         python .ci_support/pyironconfig.py
-        pip install versioneer[toml]==0.29
         pip install . --no-deps --no-build-isolation
         python -m unittest discover tests
 

.readthedocs.yml

@@ -12,7 +12,6 @@ build:
   jobs:
     pre_build:
       # Generate the Sphinx configuration for this Jupyter Book so it builds.
-      - pip install versioneer[toml]==0.29
       - pip install . --no-deps --no-build-isolation
       - "cp README.md docs"
       - "cp notebooks/*.ipynb docs"

binder/environment.yml

@@ -35,3 +35,5 @@ dependencies:
 - sphinxdft-data =0.0.1
 - nglview =3.1.2
 - seaborn =0.13.2
+- hatchling =1.27.0
+- hatch-vcs =0.5.0

pyiron_atomistics/__init__.py

@@ -1,6 +1,7 @@
 from pyiron_base import JOB_CLASS_DICT, Notebook, install_dialog
 from pyiron_base import Project as ProjectBase
 
+import pyiron_atomistics._version
 from pyiron_atomistics.atomistics.structure.atoms import (
     Atoms,
     ase_to_pyiron,
@@ -57,9 +58,7 @@
     }
 )
 
-from ._version import get_versions
-
-__version__ = get_versions()["version"]
+__version__ = pyiron_atomistics._version.__version__
 
 
 def install():