Migrate as much as possible to pyproject.toml (#3317)

This moves as much packaging information and linter configuration out of setup.[py|cfg] files into pyproject.toml with the aim of migrating to more modern Python builders in the future.

Authors:
  - Vyas Ramasubramani (https://github.com/vyasr)

Approvers:
  - Ray Douglass (https://github.com/raydouglass)
  - Rick Ratzel (https://github.com/rlratzel)

URL: #3317

.pre-commit-config.yaml

@@ -20,7 +20,7 @@ repos:
     rev: 6.0.0
     hooks:
       - id: flake8
-        args: ["--config=setup.cfg"]
+        args: ["--config=.flake8"]
         files: python/.*$
         types: [file]
         types_or: [python] # TODO: Enable [python, cython]

ci/release/apply_wheel_modifications.sh

@@ -16,32 +16,24 @@ sed -i "s/__version__ = .*/__version__ = \"${VERSION}\"/g" \
   python/pylibcugraph/pylibcugraph/__init__.py
 
 # setup.py updates
-sed -i "s/version=.*,/version=\"${VERSION}\",/g" \
-  python/cugraph/setup.py \
-  python/cugraph-dgl/setup.py \
-  python/cugraph-pyg/setup.py \
-  python/cugraph-service/client/setup.py \
-  python/cugraph-service/server/setup.py \
-  python/pylibcugraph/setup.py
+sed -i "s/^version = .*/version = \"${VERSION}\"/g" \
+  python/cugraph/pyproject.toml \
+  python/cugraph-dgl/pyproject.toml \
+  python/cugraph-pyg/pyproject.toml \
+  python/cugraph-service/client/pyproject.toml \
+  python/cugraph-service/server/pyproject.toml \
+  python/pylibcugraph/pyproject.toml
 
-# pylibcugraph setup.py cuda suffixes
-sed -i "s/name=\"pylibcugraph\"/name=\"pylibcugraph${CUDA_SUFFIX}\"/g" python/pylibcugraph/setup.py
-sed -i "s/rmm/rmm${CUDA_SUFFIX}/g" python/pylibcugraph/setup.py
-sed -i "s/pylibraft/pylibraft${CUDA_SUFFIX}/g" python/pylibcugraph/setup.py
-sed -i "s/cudf/cudf${CUDA_SUFFIX}/g" python/pylibcugraph/setup.py
-
-# cugraph setup.py cuda suffixes
-sed -i "s/name=\"cugraph\"/name=\"cugraph${CUDA_SUFFIX}\"/g" python/cugraph/setup.py
-sed -i "s/rmm/rmm${CUDA_SUFFIX}/g" python/cugraph/setup.py
-sed -i "s/cudf/cudf${CUDA_SUFFIX}/g" python/cugraph/setup.py
-sed -i "s/raft-dask/raft-dask${CUDA_SUFFIX}/g" python/cugraph/setup.py
-sed -i "s/pylibcugraph/pylibcugraph${CUDA_SUFFIX}/g" python/cugraph/setup.py
-
-# Dependency versions in pylibcugraph pyproject.toml
+# pylibcugraph pyproject.toml cuda suffixes
+sed -i "s/name = \"pylibcugraph\"/name = \"pylibcugraph${CUDA_SUFFIX}\"/g" python/pylibcugraph/pyproject.toml
 sed -i "s/rmm/rmm${CUDA_SUFFIX}/g" python/pylibcugraph/pyproject.toml
 sed -i "s/pylibraft/pylibraft${CUDA_SUFFIX}/g" python/pylibcugraph/pyproject.toml
+sed -i "s/cudf/cudf${CUDA_SUFFIX}/g" python/pylibcugraph/pyproject.toml
 
-# Dependency versions in cugraph pyproject.toml
+# cugraph pyproject.toml cuda suffixes
+sed -i "s/name = \"cugraph\"/name = \"cugraph${CUDA_SUFFIX}\"/g" python/cugraph/pyproject.toml
 sed -i "s/rmm/rmm${CUDA_SUFFIX}/g" python/cugraph/pyproject.toml
-sed -i "s/pylibraft/pylibraft${CUDA_SUFFIX}/g" python/cugraph/pyproject.toml
+sed -i "s/cudf/cudf${CUDA_SUFFIX}/g" python/cugraph/pyproject.toml
+sed -i "s/raft-dask/raft-dask${CUDA_SUFFIX}/g" python/cugraph/pyproject.toml
 sed -i "s/pylibcugraph/pylibcugraph${CUDA_SUFFIX}/g" python/cugraph/pyproject.toml
+sed -i "s/pylibraft/pylibraft${CUDA_SUFFIX}/g" python/cugraph/pyproject.toml

ci/release/update-version.sh

@@ -56,19 +56,19 @@ sed_runner 's/release = .*/release = '"'${NEXT_FULL_TAG}'"'/g' docs/cugraph/sour
 
 # Python __init__.py updates
 sed_runner "s/__version__ = .*/__version__ = \"${NEXT_FULL_TAG}\"/g" python/cugraph/cugraph/__init__.py
-sed_runner "s/__version__ = .*/__version__ = \"${NEXT_FULL_TAG}\"/g" python/cugraph-dgl/cugraph-dgl/__init__.py
-sed_runner "s/__version__ = .*/__version__ = \"${NEXT_FULL_TAG}\"/g" python/cugraph-pyg/cugraph-pyg/__init__.py
+sed_runner "s/__version__ = .*/__version__ = \"${NEXT_FULL_TAG}\"/g" python/cugraph-dgl/cugraph_dgl/__init__.py
+sed_runner "s/__version__ = .*/__version__ = \"${NEXT_FULL_TAG}\"/g" python/cugraph-pyg/cugraph_pyg/__init__.py
 sed_runner "s/__version__ = .*/__version__ = \"${NEXT_FULL_TAG}\"/g" python/cugraph-service/client/cugraph_service_client/__init__.py
 sed_runner "s/__version__ = .*/__version__ = \"${NEXT_FULL_TAG}\"/g" python/cugraph-service/server/cugraph_service_server/__init__.py
 sed_runner "s/__version__ = .*/__version__ = \"${NEXT_FULL_TAG}\"/g" python/pylibcugraph/pylibcugraph/__init__.py
 
-# Python setup.py updates
-sed_runner "s/version=.*,/version=\"${NEXT_FULL_TAG}\",/g" python/cugraph/setup.py
-sed_runner "s/version=.*,/version=\"${NEXT_FULL_TAG}\",/g" python/cugraph-dgl/setup.py
-sed_runner "s/version=.*,/version=\"${NEXT_FULL_TAG}\",/g" python/cugraph-pyg/setup.py
-sed_runner "s/version=.*,/version=\"${NEXT_FULL_TAG}\",/g" python/cugraph-service/client/setup.py
-sed_runner "s/version=.*,/version=\"${NEXT_FULL_TAG}\",/g" python/cugraph-service/server/setup.py
-sed_runner "s/version=.*,/version=\"${NEXT_FULL_TAG}\",/g" python/pylibcugraph/setup.py
+# Python pyproject.toml updates
+sed_runner "s/^version = .*/version = \"${NEXT_FULL_TAG}\"/g" python/cugraph/pyproject.toml
+sed_runner "s/^version = .*/version = \"${NEXT_FULL_TAG}\"/g" python/cugraph-dgl/pyproject.toml
+sed_runner "s/^version = .*/version = \"${NEXT_FULL_TAG}\"/g" python/cugraph-pyg/pyproject.toml
+sed_runner "s/^version = .*/version = \"${NEXT_FULL_TAG}\"/g" python/cugraph-service/client/pyproject.toml
+sed_runner "s/^version = .*/version = \"${NEXT_FULL_TAG}\"/g" python/cugraph-service/server/pyproject.toml
+sed_runner "s/^version = .*/version = \"${NEXT_FULL_TAG}\"/g" python/pylibcugraph/pyproject.toml
 
 for FILE in conda/environments/*.yaml dependencies.yaml; do
    sed_runner "s/libcugraphops=${CURRENT_SHORT_TAG}/libcugraphops=${NEXT_SHORT_TAG}/g" ${FILE};
@@ -106,7 +106,13 @@ done
 NEXT_SHORT_TAG_PEP440=$(python -c "from setuptools.extern import packaging; print(packaging.version.Version('${NEXT_SHORT_TAG}'))")
 
 # Wheel builds install intra-RAPIDS dependencies from same release
-sed_runner "s/{cuda_suffix}[^\"].*\",/{cuda_suffix}==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/pylibcugraph/setup.py
-sed_runner "s/{cuda_suffix}.*\",/{cuda_suffix}==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/pylibcugraph/_custom_build/backend.py
-sed_runner "s/{cuda_suffix}[^\"].*\",/{cuda_suffix}==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/cugraph/setup.py
-sed_runner "s/{cuda_suffix}.*\",/{cuda_suffix}==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/cugraph/_custom_build/backend.py
+sed_runner "s/rmm==.*\",/rmm==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/cugraph/pyproject.toml
+sed_runner "s/pylibraft==.*\",/pylibraft==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/cugraph/pyproject.toml
+sed_runner "s/pylibcugraph==.*\",/pylibcugraph==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/cugraph/pyproject.toml
+sed_runner "s/raft-dask==.*\",/raft-dask==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/cugraph/pyproject.toml
+sed_runner "s/cudf==.*\",/cudf==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/cugraph/pyproject.toml
+sed_runner "s/dask-cuda==.*\",/dask-cuda==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/cugraph/pyproject.toml
+
+sed_runner "s/rmm==.*\",/rmm==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/pylibcugraph/pyproject.toml
+sed_runner "s/pylibraft==.*\",/pylibraft==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/pylibcugraph/pyproject.toml
+sed_runner "s/cudf==.*\",/cudf==${NEXT_SHORT_TAG_PEP440}.*\",/g" python/pylibcugraph/pyproject.toml

conda/recipes/cugraph-service/install_cugraph-service-client.sh

@@ -1,6 +1,6 @@
 #!/usr/bin/env bash
 
-# Copyright (c) 2022, NVIDIA CORPORATION.
+# Copyright (c) 2022-2023, NVIDIA CORPORATION.
 
 # This assumes the script is executed from the root of the repo directory
 
@@ -13,6 +13,6 @@
 
 cd "${SRC_DIR}/python/cugraph-service/client"
 mkdir -p pip_cache
-$PYTHON -m pip install --no-index --no-deps --ignore-installed --cache-dir ./pip_cache . -vv
+$PYTHON -m pip install --no-build-isolation --no-index --no-deps --ignore-installed --cache-dir ./pip_cache . -vv
 
 #./build.sh cugraph-service

conda/recipes/cugraph-service/install_cugraph-service-server.sh

@@ -1,6 +1,6 @@
 #!/usr/bin/env bash
 
-# Copyright (c) 2022, NVIDIA CORPORATION.
+# Copyright (c) 2022-2023, NVIDIA CORPORATION.
 
 # This assumes the script is executed from the root of the repo directory
 
@@ -13,6 +13,6 @@
 
 cd "${SRC_DIR}/python/cugraph-service/server"
 mkdir -p pip_cache
-$PYTHON -m pip install --no-index --no-deps --ignore-installed --cache-dir ./pip_cache . -vv
+$PYTHON -m pip install --no-build-isolation --no-index --no-deps --ignore-installed --cache-dir ./pip_cache . -vv
 
 #./build.sh cugraph-service

conda/recipes/cugraph-service/meta.yaml

@@ -48,6 +48,8 @@ outputs:
       host:
         - pip
         - python x.x
+        - setuptools
+        - wheel
       run:
         - {{ pin_subpackage('cugraph-service-client', exact=True) }}
         - cudf ={{ minor_version }}

python/cugraph-dgl/LICENSE

@@ -0,0 +1 @@
+../../LICENSE

python/cugraph-dgl/pyproject.toml

@@ -0,0 +1,40 @@
+# Copyright (c) 2023, NVIDIA CORPORATION.
+
+[build-system]
+
+requires = [
+    "setuptools",
+]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "cugraph-dgl"
+version = "23.04.00"
+description = "cugraph extensions for DGL"
+readme = { file = "README.md", content-type = "text/markdown" }
+authors = [
+    { name = "NVIDIA Corporation" },
+]
+license = { text = "Apache 2.0" }
+requires-python = ">=3.8"
+dependencies = [
+    "cugraph",
+    "numba>=0.56.2",
+    "numpy",
+]
+classifiers = [
+    "Intended Audience :: Developers",
+    "Programming Language :: Python",
+]
+
+[project.urls]
+Homepage = "https://github.com/rapidsai/cugraph"
+Documentation = "https://docs.rapids.ai/api/cugraph/stable/"
+
+[tool.setuptools]
+license-files = ["LICENSE"]
+
+[tool.setuptools.packages.find]
+include = [
+    "cugraph_dgl*",
+]

python/cugraph-dgl/setup.py

@@ -11,26 +11,6 @@
 # See the License for the specific language governing permissions and
 # limitations under the License.
 
-from setuptools import find_packages, setup
+from setuptools import setup
 
-install_requires = [
-    "cugraph",
-    "numba>=0.56.2",
-    "numpy",
-]
-
-setup(
-    name="cugraph-dgl",
-    description="cugraph wrappers around DGL",
-    version="23.04.00",
-    classifiers=[
-        "Intended Audience :: Developers",
-        "Programming Language :: Python",
-    ],
-    author="NVIDIA Corporation",
-    url="https://github.com/rapidsai/cugraph",
-    packages=find_packages(include=["cugraph_dgl*"]),
-    install_requires=install_requires,
-    license="Apache",
-    zip_safe=True,
-)
+setup()

python/cugraph-pyg/LICENSE

@@ -0,0 +1 @@
+../../LICENSE

python/cugraph-pyg/pyproject.toml

@@ -5,6 +5,36 @@
 requires = [
     "wheel",
     "setuptools",
-    "scikit-build>=0.13.1",
-    "ninja",
+]
+
+[tool.pytest.ini_options]
+testpaths = ["cugraph_pyg/tests"]
+
+[project]
+name = "cugraph_pyg"
+version = "23.04.00"
+description = "cugraph_pyg - PyG support for cuGraph massive-scale, ultra-fast GPU graph analytics."
+authors = [
+    { name = "NVIDIA Corporation" },
+]
+license = { text = "Apache 2.0" }
+requires-python = ">=3.8"
+classifiers = [
+    "Intended Audience :: Developers",
+    "Programming Language :: Python",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.10",
+]
+
+[project.urls]
+Homepage = "https://github.com/rapidsai/cugraph"
+Documentation = "https://docs.rapids.ai/api/cugraph/stable/"
+
+[tool.setuptools]
+license-files = ["LICENSE"]
+
+[tool.setuptools.packages.find]
+include = [
+    "cugraph_pyg*",
+    "cugraph_pyg.*",
 ]

python/cugraph-pyg/setup.py

@@ -14,14 +14,11 @@
 import os
 import shutil
 
-from setuptools import find_packages, Command
-from skbuild import setup
+from setuptools import Command, setup
 
 from setuputils import get_environment_option
 
 
-INSTALL_REQUIRES = []
-
 CUDA_HOME = get_environment_option("CUDA_HOME")
 
 if not CUDA_HOME:
@@ -60,35 +57,8 @@ def run(self):
         os.system("rm -rf dask-worker-space")
         os.system('find . -name "__pycache__" -type d -exec rm -rf {} +')
         os.system("rm -rf *.egg-info")
-        os.system("rm -rf _skbuild")
-
-
-# FIXME possibly remove this since there is no Cython code in cugraph_pyg
-PACKAGE_DATA = {key: ["*.pxd"] for key in find_packages(include=["cugraph_pyg*"])}
 
 
 setup(
-    name="cugraph_pyg",
-    description="cugraph_pyg - PyG support for cuGraph massive-scale,"
-    " ultra-fast GPU graph analytics.",
-    version="23.04.00",
-    classifiers=[
-        # "Development Status :: 4 - Beta",
-        "Intended Audience :: Developers",
-        # "Operating System :: OS Independent",
-        "Programming Language :: Python",
-        "Programming Language :: Python :: 3.8",
-        "Programming Language :: Python :: 3.9",
-        "Programming Language :: Python :: 3.10",
-    ],
-    # Include the separately-compiled shared library
-    author="NVIDIA Corporation",
-    setup_requires=[],
-    packages=find_packages(include=["cugraph_pyg", "cugraph_pyg.*"]),
-    package_data=PACKAGE_DATA,
-    include_package_data=True,
-    install_requires=INSTALL_REQUIRES,
-    license="Apache",
     cmdclass={"clean": CleanCommand},
-    zip_safe=False,
 )

python/cugraph-service/client/LICENSE

@@ -0,0 +1 @@
+../../../LICENSE

python/cugraph-service/client/README.md

@@ -0,0 +1 @@
+../README.md

python/cugraph-service/client/pyproject.toml

@@ -0,0 +1,41 @@
+# Copyright (c) 2022, NVIDIA CORPORATION.
+
+[build-system]
+
+requires = [
+    "wheel",
+    "setuptools",
+]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "cugraph-service-client"
+version = "23.04.00"
+description = "cuGraph Service client"
+readme = { file = "README.md", content-type = "text/markdown" }
+authors = [
+    { name = "NVIDIA Corporation" },
+]
+license = { text = "Apache 2.0" }
+requires-python = ">=3.8"
+dependencies = [
+    "thriftpy2",
+]
+classifiers = [
+    "Intended Audience :: Developers",
+    "Programming Language :: Python",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.10",
+]
+
+[project.urls]
+Homepage = "https://github.com/rapidsai/cugraph"
+Documentation = "https://docs.rapids.ai/api/cugraph/stable/"
+
+[tool.setuptools]
+license-files = ["LICENSE"]
+
+[tool.setuptools.packages.find]
+include = [
+    "cugraph_service_client",
+]