adding python wheel builder

.github/workflows/wheels.yml

@@ -0,0 +1,60 @@
+name: Build and upload to PyPI
+
+# Alternatively, to publish when a (published) GitHub Release is created, use the following:
+on:
+  push:
+  pull_request:
+  release:
+    types:
+      - published
+
+jobs:
+  build_wheels:
+    name: Build wheels on ${{ matrix.os }}
+    runs-on: ${{ matrix.os }}
+    strategy:
+      matrix:
+        os: [ubuntu-22.04, macos-11]
+
+    steps:
+      - uses: actions/checkout@v3
+
+      - name: Build wheels
+        uses: pypa/cibuildwheel@v2.11.3
+
+      - uses: actions/upload-artifact@v3
+        with:
+          path: ./wheelhouse/*.whl
+
+  build_sdist:
+    name: Build source distribution
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v3
+
+      - name: Build sdist
+        run: |
+          pipx run build --sdist
+
+      - uses: actions/upload-artifact@v3
+        with:
+          path: dist/*.tar.gz
+
+  upload_pypi:
+    needs: [build_wheels, build_sdist]
+    runs-on: ubuntu-latest
+    # to publish when a GitHub Release is created, use the following rule:
+    if: github.event_name == 'release' && github.event.action == 'published'
+    steps:
+      - uses: actions/download-artifact@v3
+        with:
+          # unpacks default artifact into dist/
+          # if `name: artifact` is omitted, the action will create extra parent dir
+          name: artifact
+          path: dist
+
+      - uses: pypa/gh-action-pypi-publish@v1.5.0
+        with:
+          user: __token__
+          password: ${{ secrets.pypi_password }}
+          # To test: repository_url: https://test.pypi.org/legacy/

pyproject.toml

@@ -1,12 +1,20 @@
 [build-system]
 requires = [
-    "setuptools>=65.5.0",
+    "setuptools>=65.6.3",
     "wheel",
-    "numpy<1.22",
+    "numpy",
     "cython",
-    "scikit-build>=0.16.1",
+    "scikit-build>=0.16.3",
     "cmake>=3.10.0",
     "ninja",
-    "setuptools_scm[toml]>=7.0.5"
+    "setuptools_scm[toml]>=7.0.5",
 ]
 build-backend = "setuptools.build_meta"
+
+[tool.cibuildwheel.macos]
+skip = ["cp36-*", "cp311-*"]
+before-all = "brew install homebrew/core/hdf5"
+
+[tool.cibuildwheel.linux]
+skip = ["cp36-*"]
+manylinux-x86_64-image = "ghcr.io/h5py/manylinux2014_x86_64-hdf5"

setup.py

@@ -25,7 +25,8 @@
     'version': version,
     'packages': find_packages(where='src'),
     'package_dir': {'':'src'},
-    'scripts': glob.glob('scripts/openmc-*'),
+    'cmake_install_dir': 'src/openmc',
+    'scripts': glob.glob('scripts/openmc-*') + ['bin/openmc'],
 
     # Data files and libraries
     'package_data': {