3 setup repo with pypi

.github/workflows/publish.yml

@@ -0,0 +1,34 @@
+name: Publish to PyPI
+
+on:
+  release:
+    types: [published]
+
+jobs:
+  build-n-publish:
+    name: Build and publish to PyPI
+    runs-on: ubuntu-latest
+    permissions:
+      # IMPORTANT: this permission is mandatory for trusted publishing
+      id-token: write
+      contents: read
+
+    steps:
+    - name: Checkout source
+      uses: actions/checkout@v3
+
+    - name: Set up Python
+      uses: actions/setup-python@v4
+      with:
+        python-version: "3.x"
+
+    - name: Install build dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install build
+
+    - name: Build distribution
+      run: python -m build
+
+    - name: Publish distribution 📦 to PyPI
+      uses: pypa/gh-action-pypi-publish@release/v1

pyproject.toml

@@ -4,14 +4,13 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = "aobasis"
-version = "0.1.0"
+version = "1.0.0"
 description = "A package for generating AO basis sets (KL, Zernike, Fourier)"
 readme = "README.md"
-authors = [{ name = "User", email = "[email protected]" }]
+authors = [{ name = "Jacob Taylor", email = "[email protected]" }]
 license = { file = "LICENSE" }
 classifiers = [
     "Programming Language :: Python :: 3",
-    "License :: OSI Approved :: MIT License",
     "Operating System :: OS Independent",
 ]
 dependencies = [
@@ -29,7 +28,8 @@ dev = [
 ]
 
 [project.urls]
-"Homepage" = "https://github.com/example/aobasis"
+"Homepage" = "https://github.com/jacotay7/aobasis"
+"Bug Tracker" = "https://github.com/jacotay7/aobasis/issues"
 
 [tool.setuptools.packages.find]
 where = ["src"]

src/aobasis/__init__.py

@@ -1,3 +1,10 @@
+from importlib.metadata import version, PackageNotFoundError
+
+try:
+    __version__ = version("aobasis")
+except PackageNotFoundError:
+    __version__ = "unknown"
+
 from .base import BasisGenerator
 from .kl import KLBasisGenerator
 from .zernike import ZernikeBasisGenerator