add wheels/publish action, create lightweight wheels per platform, instead of fat ones

Author: AbelHeinsbroek

.github/workflows/wheels.yml

@@ -0,0 +1,130 @@
+name: Build wheels
+
+on:
+  workflow_dispatch:
+  push:
+    branches: ["master", "emscripten"]
+    tags: ["v*"]
+
+jobs:
+  native-wheels:
+    name: Native wheels (${{ matrix.os }})
+    runs-on: ${{ matrix.os }}
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-latest, windows-latest, macos-14]
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+
+      - name: Install build tooling
+        run: python -m pip install --upgrade pip cibuildwheel
+
+      - name: Build wheels
+        run: python -m cibuildwheel --output-dir dist
+        env:
+          CIBW_BUILD: cp312-*
+          CIBW_SKIP: pp* *-musllinux_*
+          CIBW_ARCHS_MACOS: arm64
+
+      - name: Upload native wheel artifacts
+        uses: actions/upload-artifact@v4
+        with:
+          name: wheels-${{ matrix.os }}
+          path: dist/*.whl
+
+  wasm-wheel:
+    name: WASM wheel (Pyodide)
+    runs-on: ubuntu-latest
+    env:
+      PYODIDE_EMSCRIPTEN_TAG: emscripten_3_1_58_wasm32
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+
+      - name: Install build tooling
+        run: python -m pip install --upgrade pip build wheel
+
+      - name: Build wasm wheel
+        run: python -m build --wheel
+        env:
+          PHREEQPYTHON_TARGET: wasm
+
+      - name: Retag wheel for Pyodide
+        shell: bash
+        run: |
+          set -euo pipefail
+          WHEEL_PATH=$(ls dist/*.whl)
+          python -m wheel tags \
+            --python-tag cp312 \
+            --abi-tag cp312 \
+            --platform-tag "${PYODIDE_EMSCRIPTEN_TAG}" \
+            "${WHEEL_PATH}"
+          rm -f "${WHEEL_PATH}"
+
+      - name: Upload wasm wheel artifact
+        uses: actions/upload-artifact@v4
+        with:
+          name: wheels-wasm
+          path: dist/*.whl
+
+  sdist:
+    name: Source distribution
+    runs-on: ubuntu-latest
+    steps:
+      - uses: actions/checkout@v4
+
+      - uses: actions/setup-python@v5
+        with:
+          python-version: "3.12"
+
+      - name: Install build tooling
+        run: python -m pip install --upgrade pip build
+
+      - name: Build sdist
+        run: python -m build --sdist
+
+      - name: Upload sdist artifact
+        uses: actions/upload-artifact@v4
+        with:
+          name: sdist
+          path: dist/*.tar.gz
+
+  pypi-publish:
+    name: Publish to PyPI
+    needs: [native-wheels, wasm-wheel, sdist]
+    runs-on: ubuntu-latest
+    if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/v')
+    permissions:
+      id-token: write
+    steps:
+      - name: Download wheel artifacts
+        uses: actions/download-artifact@v4
+        with:
+          pattern: wheels-*
+          path: dist
+          merge-multiple: true
+
+      - name: Download sdist artifact
+        uses: actions/download-artifact@v4
+        with:
+          name: sdist
+          path: dist
+
+      - name: Show artifacts
+        shell: bash
+        run: ls -la dist
+
+      - name: Publish package distributions to PyPI
+        uses: pypa/gh-action-pypi-publish@release/v1
+        with:
+          packages-dir: dist

phreeqpython/viphreeqc.py

@@ -39,17 +39,27 @@ def __init__(self, dll_path=None):
         """
         if not dll_path:
             if sys.platform == 'win32':
-                dll_name = './lib/VIPhreeqc.dll'
+                dll_names = ['./lib/viphreeqc.dll', './lib/VIPhreeqc.dll']
             elif 'linux' in sys.platform:
-                dll_name = './lib/viphreeqc.so'
+                dll_names = ['./lib/viphreeqc.so']
             elif sys.platform == 'darwin':
-                dll_name = './lib/viphreeqc.dylib'
+                dll_names = ['./lib/viphreeqc.dylib']
             elif 'emscripten' in sys.platform:
-                dll_name = './lib/viphreeqcwasm.so'
+                dll_names = ['./.libs/viphreeqc.so', './lib/viphreeqcwasm.so']
             else:
                 msg = 'Platform %s is not supported.' % sys.platform
                 raise NotImplementedError(msg)
-            dll_path = os.path.join(os.path.dirname(__file__), dll_name)
+
+            module_dir = os.path.dirname(__file__)
+            dll_path = None
+            for dll_name in dll_names:
+                candidate = os.path.join(module_dir, dll_name)
+                if os.path.exists(candidate):
+                    dll_path = candidate
+                    break
+
+            if dll_path is None:
+                dll_path = os.path.join(module_dir, dll_names[0])
         phreeqc = ctypes.cdll.LoadLibrary(dll_path)
         self.debug = False
         self.dll = phreeqc

setup.py

@@ -1,21 +1,87 @@
-from setuptools import setup, find_packages
 import os
 import sys
-import zipfile
-import urllib
-
-setup(name='phreeqpython',
-      version='1.6.1',
-      description='Vitens viphreeqc wrapper and utilities',
-      url='https://github.com/Vitens/phreeqpython',
-      author='Abel Heinsbroek',
-      author_email='abel.heinsbroek@vitens.nl',
-      license='Apache Licence 2.0',
-      packages=['phreeqpython', 'phreeqpython.lib', 'phreeqpython.database'],
-      include_package_data=True,
-      zip_safe=False,
-      install_requires=['periodictable','numpy'],
-      extras_require={
-          'kinetics': ['scipy'],
-      }
-      )
+from pathlib import Path
+
+from setuptools import find_packages, setup
+
+cmdclass = {}
+try:
+    from wheel.bdist_wheel import bdist_wheel as _base_bdist_wheel
+
+    class bdist_wheel(_base_bdist_wheel):
+        """Always build platform wheels (never py3-none-any)."""
+
+        def finalize_options(self):
+            super().finalize_options()
+            self.root_is_pure = False
+
+    cmdclass = {"bdist_wheel": bdist_wheel}
+except ImportError:  # pragma: no cover
+    pass
+
+
+PACKAGE_DIR = Path(__file__).parent / "phreeqpython"
+
+
+def _candidate_libraries_for_target(target):
+    if target == "windows":
+        return ["lib/viphreeqc.dll", "lib/VIPhreeqc.dll"]
+    if target == "linux":
+        return ["lib/viphreeqc.so"]
+    if target == "macos":
+        return ["lib/viphreeqc.dylib"]
+    if target == "wasm":
+        return [".libs/viphreeqc.so", "lib/viphreeqcwasm.so"]
+    raise ValueError("Unsupported PHREEQPYTHON_TARGET: %s" % target)
+
+
+def _resolve_target():
+    explicit_target = os.environ.get("PHREEQPYTHON_TARGET", "").strip().lower()
+    if explicit_target:
+        return explicit_target
+
+    if sys.platform == "win32":
+        return "windows"
+    if "linux" in sys.platform:
+        return "linux"
+    if sys.platform == "darwin":
+        return "macos"
+    if "emscripten" in sys.platform:
+        return "wasm"
+    raise RuntimeError("Unsupported platform for wheel build: %s" % sys.platform)
+
+
+def _select_native_library(target):
+    candidates = _candidate_libraries_for_target(target)
+    for relative_path in candidates:
+        if (PACKAGE_DIR / relative_path).exists():
+            return relative_path
+    raise FileNotFoundError(
+        "No native library found for target '%s'. Expected one of: %s"
+        % (target, ", ".join(candidates))
+    )
+
+
+TARGET = _resolve_target()
+NATIVE_LIBRARY = _select_native_library(TARGET)
+PACKAGE_DATA = ["database/*.dat", NATIVE_LIBRARY]
+
+
+setup(
+    name="phreeqpython",
+    version="1.6.1",
+    description="Vitens viphreeqc wrapper and utilities",
+    url="https://github.com/Vitens/phreeqpython",
+    author="Abel Heinsbroek",
+    author_email="abel.heinsbroek@vitens.nl",
+    license="Apache Licence 2.0",
+    packages=find_packages(),
+    package_data={"phreeqpython": PACKAGE_DATA},
+    include_package_data=False,
+    zip_safe=False,
+    install_requires=["periodictable", "numpy"],
+    extras_require={
+        "kinetics": ["scipy"],
+    },
+    cmdclass=cmdclass,
+)