Merge pull request #83 from pyiron/deploy_fix

Fix deployment

.ci_support/release.py

@@ -52,10 +52,10 @@ def update_dependencies(setup_content, version_low_dict, version_high_dict):
         env_content = f.readlines()
 
     setup_content_new = update_dependencies(
-        setup_content=setup_content,
+        setup_content=setup_content[2:],
         version_low_dict=get_env_version(env_content=env_content),
-        version_high_dict=get_setup_version_and_pattern(setup_content=setup_content),
+        version_high_dict=get_setup_version_and_pattern(setup_content=setup_content[2:]),
     )
 
     with open('pyproject.toml', "w") as f:
-        f.writelines(setup_content_new)
+        f.writelines("".join(setup_content[:2]) + setup_content_new)

.github/workflows/deploy.yml

@@ -23,7 +23,7 @@ jobs:
       with:
         python-version: "3.11"
     - name: Install dependencies
-      run: python -m pip install --user --upgrade setuptools wheel
+      run: python -m pip install --user --upgrade ase numpy scipy setuptools spglib versioneer wheel
     - name: Convert dependencies
       run: |
         cp .ci_support/environment-old.yml environment.yml

MANIFEST.in

@@ -1,3 +1 @@
-include versioneer.py
-include atomistics/_version.py
-include LICENSE
+include LICENSE

pyproject.toml

@@ -1,5 +1,5 @@
 [build-system]
-requires = ["setuptools"]
+requires = ["ase", "numpy", "scipy", "setuptools", "spglib", "versioneer[toml]==0.29"]
 build-backend = "setuptools.build_meta"
 
 [project]
@@ -52,8 +52,8 @@ lammps = [
     "pandas==2.1.3",
 ]
 
-[tool.setuptools]
-packages = ["atomistics"]
+[tool.setuptools.packages.find]
+include = ["atomistics*"]
 
 [tool.setuptools.dynamic]
 version = {attr = "atomistics.__version__"}

setup.py

@@ -1,3 +1,8 @@
 from setuptools import setup
 
-setup()
+import versioneer
+
+setup(
+    version=versioneer.get_version(),
+    cmdclass=versioneer.get_cmdclass(),
+)