add pypi workflow

.github/workflows/publish.yml

@@ -0,0 +1,30 @@
+name: Upload Python Package to PyPI when a Release is Created
+
+on:
+  release:
+    types: [created]
+
+jobs:
+  pypi-publish:
+    name: Publish release to PyPI
+    runs-on: ubuntu-latest
+    environment:
+      name: pypi
+      url: https://pypi.org/p/cdtools-py
+    permissions:
+      id-token: write
+    steps:
+    - uses: actions/checkout@v4
+    - name: Set up Python
+      uses: actions/setup-python@v4
+      with:
+        python-version: "3.x"
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install setuptools wheel
+    - name: Build package (setup.py)
+      run: |
+        python setup.py sdist bdist_wheel
+    - name: Publish package distributions to PyPI
+      uses: pypa/gh-action-pypi-publish@release/v1

setup.py

@@ -5,7 +5,7 @@ with open("README.md", "r") as fh:
 
 setuptools.setup(
     name="cdtools",
-    version="0.3.0",
+    version="0.3.1",
     python_requires='>3.8', # recommended minimum version for pytorch 2.3.0
     author="Abe Levitan",
     author_email="abraham.levitan@psi.ch",