Switch cufinufft from setup.py to pyproject.toml (#507)

* py: fix install target for cufinufft

* py: switch to pyproject.toml for cufinufft

Also, find library by looking in package directory instead of loading C
extension.

* ci: ensure cufinufft install in Jenkins

* ci: run GPU tests in py310

To install the latest PyCUDA, we need NumPy >= 2.0, which in turn
requires Python >= 3.9.

* ci: update torch for py310 compat

Author: janden

Jenkinsfile

@@ -16,7 +16,7 @@ pipeline {
       }
       environment {
     HOME = "$WORKSPACE"
-    PYBIN = "/opt/python/cp38-cp38/bin"
+    PYBIN = "/opt/python/cp310-cp310/bin"
     LIBRARY_PATH = "$WORKSPACE/build"
     LD_LIBRARY_PATH = "$WORKSPACE/build"
       }
@@ -46,11 +46,19 @@ pipeline {
     '''
     sh '${PYBIN}/python3 -m venv $HOME'
     sh '''#!/bin/bash -ex
+      cuda_arch="70"
       source $HOME/bin/activate
+
       python3 -m pip install --no-cache-dir --upgrade pip
+      python3 -m pip install \
+        --no-cache-dir \
+        --config-settings=cmake.define.CMAKE_CUDA_ARCHITECTURES="${cuda_arch}" \
+        python/cufinufft
+    '''
+    sh '''#!/bin/bash -ex
+      source $HOME/bin/activate
       python3 -m pip install --no-cache-dir --upgrade pycuda cupy-cuda112 numba
-      python3 -m pip install --no-cache-dir torch==1.10.2+cu111 -f https://download.pytorch.org/whl/torch_stable.html
-      python3 -m pip install --no-cache-dir python/cufinufft
+      python3 -m pip install --no-cache-dir torch==1.12.1+cu113 -f https://download.pytorch.org/whl/torch_stable.html
       python3 -m pip install --no-cache-dir pytest
       python -c "from numba import cuda; cuda.cudadrv.libs.test()"
       python3 -m pytest --framework=pycuda python/cufinufft

python/CMakeLists.txt

@@ -6,6 +6,6 @@ if(FINUFFT_USE_CPU)
     endif ()
 endif()
 
-if(FINUFFT_USE_GPU)
-    install(TARGETS finufft_gpu LIBRARY DESTINATION cufinufft)
+if(FINUFFT_USE_CUDA)
+    install(TARGETS cufinufft LIBRARY DESTINATION cufinufft)
 endif()

python/cufinufft/cufinufft/_cufinufft.py

@@ -9,6 +9,8 @@
 import os
 import warnings
 import importlib.util
+import pathlib
+import numpy as np
 
 from ctypes import c_double
 from ctypes import c_int
@@ -20,31 +22,27 @@
 c_float_p = ctypes.POINTER(c_float)
 c_double_p = ctypes.POINTER(c_double)
 
-# TODO: See if there is a way to improve this so it is less hacky.
 lib = None
-# Try to load a local library directly.
-try:
-    lib = ctypes.cdll.LoadLibrary('libcufinufft.so')
-except OSError:
-    pass
-
-# Should that not work, try to find the full path of a packaged lib.
-#   The packaged lib should have a py/platform decorated name,
-#   and be rpath'ed the true CUDA C cufinufft library through the
-#   Extension and wheel systems.
-try:
-    if lib is None:
-        # Find the library.
-        lib_path = importlib.util.find_spec('cufinufft.cufinufftc').origin
-        # Get the full path for the ctypes loader.
-        full_lib_path = os.path.realpath(lib_path)
-
-        # Load the library,
-        #    which rpaths the libraries we care about.
-        lib = ctypes.cdll.LoadLibrary(full_lib_path)
-
-except Exception:
-    raise ImportError('Failed to find a suitable cufinufft library')
+# Try to load the library as installed in the Python package.
+path = pathlib.Path(__file__).parent.resolve()
+library_names = ["libcufinufft", "cufinufft"]
+for lib_name in library_names:
+    try:
+        lib = np.ctypeslib.load_library(lib_name, path)
+        break
+    except OSError:
+        # Paranoid, in case lib is set to something and then an exception is thrown
+        lib = None
+
+if lib is None:
+    # If that fails, try to load the library from the system path.
+    libname = find_library('cufinufft')
+    if libname is not None:
+        lib = ctypes.cdll.LoadLibrary(libname)
+        # we probably should add a version check and trow a warning if the version is different
+    else:
+        # if that does not work, cufinufft is not installed correctly.
+        raise ImportError("Failed to find a suitable cufinufft library.")
 
 
 def _get_NufftOpts():

python/cufinufft/pyproject.toml

@@ -0,0 +1,47 @@
+[build-system]
+requires = [
+    "scikit-build-core >= 0.4.3",
+    "cmake >= 3.19",
+    "ninja >= 1.9.0",
+]
+build-backend = "scikit_build_core.build"
+
+[project]
+name = "cufinufft"
+description = "Non-uniform fast Fourier transforms on the GPU"
+version = "2.2.0"
+readme = "README.md"
+requires-python = ">=3.8"
+dependencies = ["numpy"]
+authors = [
+    {name = "Yu-shuan Melody Shih"},
+    {name = "Garrett Wright"},
+    {name = "Joakim Anden"},
+    {name = "Johannes Blascke"},
+    {name = "Alex Barnett"}]
+maintainers = [{name = "Joakim Anden", email = "[email protected]"}]
+classifiers = [
+    "Intended Audience :: Science/Research",
+    "License :: OSI Approved :: Apache Software License",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: C++",
+    "Operating System :: POSIX :: Linux",
+    "Environment :: GPU",
+    "Topic :: Scientific/Engineering :: Mathematics"
+    ]
+
+[tool.scikit-build]
+# Protect the configuration against future changes in scikit-build-core
+minimum-version = "0.4"
+# Setuptools-style build caching in a local directory
+build-dir = "build/{wheel_tag}"
+
+# Tell skbuild to look for the CMakeLists.txt file two directories up.
+cmake.source-dir = "../../"
+cmake.targets = ["cufinufft"]
+cmake.define = {"FINUFFT_BUILD_PYTHON" = "ON", "FINUFFT_USE_CUDA" = "ON", "FINUFFT_USE_CPU" = "OFF", "FINUFFT_ENABLE_INSTALL" = "OFF", "FINUFFT_STATIC_LINKING" = "OFF"}
+
+wheel.packages = ["cufinufft"]
+
+# Indicate that we don't depend on the CPython API
+wheel.py-api = "py3"