Pip install try while at nea

.github/workflows/wheels.yml

@@ -0,0 +1,57 @@
+name: Build and upload to PyPI
+
+on:
+  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@v2.13.0
+
+      - uses: actions/upload-artifact@v3.1.2
+        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@v3.1.2
+        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@v3.1.2
+        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@v1.8.5
+        with:
+          user: __token__
+          password: ${{ secrets.pypi_password }}
+          # To test: repository_url: https://test.pypi.org/legacy/

.gitignore

@@ -52,6 +52,7 @@ src/CMakeFiles/
 src/bin/
 src/cmake_install.cmake
 src/install_manifest.txt
+_skbuild
 
 # Nuclear data
 scripts/nndc

MANIFEST.in

@@ -45,6 +45,7 @@ recursive-include vendor *.hh
 recursive-include vendor *.hpp
 recursive-include vendor *.pc.in
 recursive-include vendor *.natvis
+global-include openmc
 include vendor/gsl-lite/include/gsl/gsl
 prune docs/build
 prune docs/source/pythonapi/generated/

pyproject.toml

@@ -1,2 +1,22 @@
 [build-system]
-requires = ["setuptools", "wheel", "numpy", "cython"]
+requires = [
+    "setuptools",
+    "wheel",
+    "numpy",
+    "cython",
+    "scikit-build>=0.17.6",
+    "cmake>=3.10.0",
+    "h5py",
+]
+build-backend = "setuptools.build_meta"
+
+[tool.cibuildwheel]
+skip = "cp36-*"
+
+[tool.cibuildwheel.macos]
+skip = "cp36-* cp37-*"
+before-all = "brew install homebrew/core/hdf5"
+repair-wheel-command = "delocate-wheel --require-archs {delocate_archs} -w {dest_dir} -v {wheel}"
+
+[tool.cibuildwheel.linux]
+manylinux-x86_64-image = "ghcr.io/h5py/manylinux2014_x86_64-hdf5"

setup.py

@@ -4,7 +4,8 @@
 import sys
 import numpy as np
 
-from setuptools import setup, find_packages
+from setuptools import find_packages
+from skbuild import setup
 from Cython.Build import cythonize
 
 
@@ -23,11 +24,11 @@
     'name': 'openmc',
     'version': version,
     'packages': find_packages(exclude=['tests*']),
-    'scripts': glob.glob('scripts/openmc-*'),
+    'scripts': glob.glob('scripts/openmc-*'), # fails build + ['bin/openmc'],
 
     # Data files and libraries
     'package_data': {
-        'openmc.lib': ['libopenmc.{}'.format(suffix)],
+        # 'openmc.lib': ['libopenmc.{}'.format(suffix)],
         'openmc.data': ['mass_1.mas20.txt', 'BREMX.DAT', 'half_life.json', '*.h5'],
         'openmc.data.effective_dose': ['*.txt']
     },
@@ -76,7 +77,9 @@
     },
     # Cython is used to add resonance reconstruction and fast float_endf
     'ext_modules': cythonize('openmc/data/*.pyx'),
-    'include_dirs': [np.get_include()]
+    'include_dirs': [np.get_include()],
+    'include_package_data': True,
+    # cmake_args=['-DSOME_FEATURE:BOOL=OFF']
 }
 
 setup(**kwargs)