revamped build system to use hybrid setup.py and pyproject.toml approach

.github/workflows/deploy_pypi.yml

@@ -25,16 +25,11 @@ jobs:
       - name: Install build dependencies
         run: |
           python -m pip install --upgrade pip
-          python -m pip install build wheel setuptools numpy
+          python -m pip install build wheel setuptools numpy torch
 
-      - name: Build source distribution
+      - name: Build distribution
         run: |
-          python -m build --sdist
-
-      - name: Install torch and build wheel
-        run: |
-          python -m pip install torch --index-url https://download.pytorch.org/whl/cpu
-          python -m build --wheel
+          python -m build
 
       - name: Publish package to PyPI
         uses: pypa/gh-action-pypi-publish@release/v1

pyproject.toml

@@ -0,0 +1,47 @@
+[build-system]
+requires = [ "setuptools", "setuptools-scm", "torch>=2.4.0"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "torch_harmonics"
+authors = [
+    { name="Boris Bonev", email = "[email protected]" },
+    { name="Thorsten Kurth", email = "[email protected]" },
+    { name="Jean Kossaifi" },
+    { name="Nikola Kovachki" },
+    { name="Christian Hundt" },
+]
+
+maintainers = [
+    { name="Thorsten Kurth", email = "[email protected]" },
+    { name="Boris Bonev", email = "[email protected]" },
+]
+
+dynamic = ["version", "readme"]
+
+description = "Differentiable harmonics transforms and convolutions on the sphere for PyTorch."
+requires-python = ">=3.10"
+
+classifiers = [
+    "Programming Language :: Python :: 3.10",
+    "License :: OSI Approved :: Modified BSD",
+    "Operating System :: OS Independent",
+]
+
+dependencies = [
+    "torch>=2.4.0",
+    "numpy>=1.22.4,<1.25",
+]
+
+[tool.setuptools.dynamic]
+version = {attr = "torch_harmonics.__version__"}
+readme = {file = ["README.md"]}
+
+[tool.setuptools.packages.find]
+    include = ["torch_harmonics*"]
+
+[project.optional-dependencies]
+dev = [
+    "pytest>=6.0.0",
+    "coverage>=6.5.0",
+]

setup.py

@@ -30,38 +30,24 @@
 #
 
 import sys
-from pathlib import Path
-import re
 
 try:
     from setuptools import setup, find_packages
 except ImportError:
     from distutils.core import setup, find_packages
 
-def version(root_path):
-    """Returns the version taken from __init__.py"""
-    version_path = root_path.joinpath("torch_harmonics", "__init__.py")
-    with version_path.open() as f:
-        version_file = f.read()
-    version_match = re.search(r"^__version__ = ['\"]([^'\"]*)['\"]", version_file, re.M)
-    if version_match:
-        return version_match.group(1)
-    raise RuntimeError("Unable to find version string.")
+import torch
+from torch.utils import cpp_extension
 
-def readme(root_path):
-    """Returns the text content of README.md"""
-    with root_path.joinpath("README.md").open(encoding="UTF-8") as f:
-        return f.read()
 
 def get_ext_modules(argv):
-    # Delay import of torch and cpp_extension
-    import torch
-    from torch.utils import cpp_extension
 
     compile_cuda_extension = "--cuda_ext" in argv
     if "--cuda_ext" in argv:
         argv.remove("--cuda_ext")
 
+    print(compile_cuda_extension)
+
     ext_modules = [
         cpp_extension.CppExtension("disco_helpers", ["torch_harmonics/csrc/disco/disco_helpers.cpp"]),
     ]
@@ -80,39 +66,12 @@ def get_ext_modules(argv):
 
     return ext_modules
 
-root_path = Path(__file__).parent
-README = readme(root_path)
-VERSION = version(root_path)
-
-config = {
-    "name": "torch_harmonics",
-    "packages": find_packages(),
-    "description": "A differentiable spherical harmonic transform for PyTorch.",
-    "long_description": README,
-    "long_description_content_type": "text/markdown",
-    "url": "https://github.com/NVIDIA/torch-harmonics",
-    "author": "Boris Bonev",
-    "author_email": "[email protected]",
-    "version": VERSION,
-    "install_requires": ["torch", "numpy"],
-    "extras_require": {
-        "sfno": ["tensorly", "tensorly-torch"],
-    },
-    "license": "Modified BSD",
-    "scripts": [],
-    "include_package_data": True,
-    "classifiers": ["Topic :: Scientific/Engineering", "License :: OSI Approved :: BSD License", "Programming Language :: Python :: 3"],
-}
+if __name__ == "__main__":
 
-def setup_package():
-    # Delay the decision about ext_modules and cmdclass
     ext_modules = get_ext_modules(sys.argv)
-    if ext_modules:
-        from torch.utils import cpp_extension
-        config["ext_modules"] = ext_modules
-        config["cmdclass"] = {"build_ext": cpp_extension.BuildExtension}
 
-    setup(**config)
-
-if __name__ == "__main__":
-    setup_package()
+    setup(
+        packages=find_packages(),
+        ext_modules=ext_modules,
+        cmdclass={"build_ext": cpp_extension.BuildExtension},
+    )