move most project metadata into pyproject.toml

.github/workflows/github-actions.yml

@@ -62,6 +62,9 @@ jobs:
         with:
           name: legateboost-wheel
           path: dist/legateboost*.whl
+      - name: Install legateboost
+        run: |
+          python -m pip install --no-deps dist/*.whl
       - name: Run cpu tests
         run: |
           legate --sysmem 28000 --module pytest legateboost/test/[!_]**.py -sv --durations=0

README.md

@@ -71,7 +71,13 @@ model = lb.LBRegressor(base_models=(lb.models.KRR(sigma=0.5), lb.models.Tree(max
 
 ## Installation
 
-From the project directory
-```
-pip install .
+If you already have `cunumeric` and `legate-core` installed, run the following:
+
+```shell
+pip install \
+    --no-build-isolation \
+    --no-deps \
+    .
 ```
+
+For more details on customizing the build and setting up a development environment, see [`contributing.md`](./contributing.md).

build.sh

@@ -2,6 +2,33 @@
 
 set -e -u -o pipefail
 
+NUMARGS=$#
+ARGS=$*
+
+HELP="build liblegateboost.so and a 'legateboost' Python wheel, and install that wheel
+
+  $0 [<flag> ...]
+
+ where <flag> is any of:
+
+   --editable  install Python wheel in editable mode
+"
+
+function hasArg {
+    (( NUMARGS != 0 )) && (echo " ${ARGS} " | grep -q " $1 ")
+}
+
+if hasArg -h || hasArg --help; then
+    echo "${HELP}"
+    exit 0
+fi
+
+# Set defaults for vars modified by flags to this script
+PIP_INSTALL_ARGS=(
+    --no-build-isolation
+    --no-deps
+)
+
 # ensure 'native' is used if CUDAARCHS isn't set
 # (instead of the CMake default which is a specific architecture)
 # ref: https://cmake.org/cmake/help/latest/variable/CMAKE_CUDA_ARCHITECTURES.html
@@ -10,7 +37,14 @@ declare -r CMAKE_CUDA_ARCHITECTURES="${CUDAARCHS:-native}"
 legate_root=$(
     python -c 'import legate.install_info as i; from pathlib import Path; print(Path(i.libpath).parent.resolve())'
 )
-echo "Using Legate at $legate_root"
+echo "Using Legate at '${legate_root}'"
+
 cmake -S . -B build -Dlegate_core_ROOT="${legate_root}" -DCMAKE_BUILD_TYPE=Release -DCMAKE_CUDA_ARCHITECTURES="${CMAKE_CUDA_ARCHITECTURES}"
 cmake --build build -j
-python -m pip install -e .
+
+if hasArg --editable; then
+    PIP_INSTALL_ARGS+=("--editable")
+fi
+
+echo "building legatboost Python package..."
+python -m pip install "${PIP_INSTALL_ARGS[@]}" .

ci/build_wheel.sh

@@ -2,8 +2,8 @@
 
 set -e -u -o pipefail
 
-./build.sh
 python -m build \
     --no-isolation \
+    --skip-dependency-check \
     --wheel \
     --outdir dist

conda/environments/all_cuda-118.yaml

@@ -5,9 +5,9 @@ channels:
 - conda-forge
 dependencies:
 - cmake>=3.24.0,!=3.30.0
-- cunumeric=24.06.*
+- cunumeric==24.06.*
 - hypothesis
-- legate-core=24.06.*
+- legate-core==24.06.*
 - matplotlib
 - mypy
 - myst-parser
@@ -17,7 +17,7 @@ dependencies:
 - openblas
 - pydata-sphinx-theme
 - pytest<8
-- python-build
+- python-build>=1.2.0
 - scikit-build>=0.18.0
 - scikit-learn
 - seaborn

contributing.md

@@ -1,17 +1,46 @@
 # Contributing to legateboost
 
-For editable installation
-```
-pip install -e .
-```
-To include test dependencies
+`legateboost` depends on some libraries that are not easily installable with `pip`.
+
+Use `conda` to create a development environment that includes them.
+
+```shell
+# CUDA 11.8
+conda env create \
+    --name legate-boost-dev \
+    -f ./conda/environments/all_cuda-118.yaml
+
+source activate legate-boost-dev
 ```
-pip install -e .[test]
+
+The easiest way to develop is to compile the shared library separately, then build
+and install an editable wheel that uses it.
+
+```shell
+./build.sh --editable
 ```
 
 ## Running tests
+
+CPU:
+
+```shell
+legate \
+    --sysmem 28000 \
+    --module pytest \
+    legateboost/test
 ```
-legate --module pytest legateboost/test
+
+GPU:
+
+```shell
+legate \
+    --gpus 1 \
+    --fbmem 28000 \
+    --sysmem 28000 \
+    --module pytest \
+    legateboost/test/test_estimator.py \
+    -k 'not sklearn'
 ```
 
 ## Change default CUDA architectures
@@ -22,7 +51,7 @@ If installing with `pip`, set the `CUDAARCHS` environment variable, as described
 
 ```shell
 CUDAARCHS="70;80" \
-    pip install .
+    pip install --no-build-isolation --no-deps .
 ```
 
 For CMake-based builds, pass `CMAKE_CUDA_ARCHITECTURES`.

dependencies.yaml

@@ -6,9 +6,32 @@ files:
       cuda: ["11.8"]
     includes:
       - build
+      - build_tools
       - docs
       - run
       - test
+  py_build:
+    output: pyproject
+    pyproject_dir: .
+    extras:
+      table: build-system
+    includes:
+      - build
+  py_run:
+    output: pyproject
+    pyproject_dir: .
+    extras:
+      table: project
+    includes:
+      - run
+  py_test:
+    output: pyproject
+    pyproject_dir: .
+    extras:
+      table: project.optional-dependencies
+      key: test
+    includes:
+      - test
 channels:
   - legate
   - conda-forge
@@ -17,31 +40,37 @@ dependencies:
     common:
       - output_types: [conda]
         packages:
-          - cmake>=3.24.0,!=3.30.0
-          - &legate_core legate-core=24.06.*
           - openblas
-          - python-build
+      - output_types: [conda, pyproject, requirements]
+        packages:
+          - cmake>=3.24.0,!=3.30.0
+          - &legate_core legate-core==24.06.*
           - scikit-build>=0.18.0
           - setuptools>=70.0
-  docs:
+  build_tools:
     common:
       - output_types: [conda]
+        packages:
+          - python-build>=1.2.0
+  docs:
+    common:
+      - output_types: [conda, pyproject, requirements]
         packages:
           - sphinx
           - pydata-sphinx-theme
           - myst-parser
   run:
     common:
-      - output_types: [conda]
+      - output_types: [conda, pyproject, requirements]
         packages:
-          - cunumeric=24.06.*
+          - cunumeric==24.06.*
           - *legate_core
           - numpy
           - scikit-learn
           - typing-extensions>=4.0
   test:
     common:
-      - output_types: [conda]
+      - output_types: [conda, pyproject, requirements]
         packages:
           - hypothesis
           - matplotlib

pyproject.toml

@@ -0,0 +1,47 @@
+[build-system]
+requires = [
+    "cmake>=3.24.0,!=3.30.0",
+    "legate-core==24.06.*",
+    "scikit-build>=0.18.0",
+    "setuptools>=70.0",
+] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit dependencies.yaml and run `rapids-dependency-file-generator`.
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "legateboost"
+version = "0.1"
+authors = [
+    {name = "NVIDIA Corporation"},
+]
+classifiers = [
+    "Intended Audience :: Developers",
+    "Topic :: Database",
+    "Topic :: Scientific/Engineering",
+    "License :: OSI Approved :: Apache Software License",
+    "Programming Language :: Python",
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+]
+dependencies = [
+    "cunumeric==24.06.*",
+    "legate-core==24.06.*",
+    "numpy",
+    "scikit-learn",
+    "typing-extensions>=4.0",
+] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit dependencies.yaml and run `rapids-dependency-file-generator`.
+description = "GBM libary on Legate"
+license = {text = "Apache 2.0"}
+requires-python = ">=3.8"
+
+[project.optional-dependencies]
+test = [
+    "hypothesis",
+    "matplotlib",
+    "mypy",
+    "nbconvert",
+    "notebook",
+    "pytest<8",
+    "seaborn",
+    "xgboost",
+] # This list was generated by `rapids-dependency-file-generator`. To make changes, edit dependencies.yaml and run `rapids-dependency-file-generator`.

setup.py

@@ -39,46 +39,8 @@
     cmake_flags.append(env_cmake_args)
 os.environ["CMAKE_ARGS"] = " ".join(cmake_flags)
 
-requires = [
-    "cunumeric",
-    "legate-core",
-    "scikit-learn",
-    "scipy",
-    "numpy",
-    "typing_extensions",  # Required by legate.core as well.
-]
-
-extras_require = {
-    "test": [
-        "hypothesis",
-        "pytest<8",
-        "xgboost",
-        "notebook",
-        "nbconvert",
-        "seaborn",
-        "matplotlib",
-        "mypy",
-    ]
-}
 
 setup(
-    name="legateboost",
-    version="0.1",
-    description="GBM libary on Legate",
-    author="NVIDIA Corporation",
-    license="Apache 2.0",
-    classifiers=[
-        "Intended Audience :: Developers",
-        "Topic :: Database",
-        "Topic :: Scientific/Engineering",
-        "License :: OSI Approved :: Apache Software License",
-        "Programming Language :: Python",
-        "Programming Language :: Python :: 3.8",
-        "Programming Language :: Python :: 3.9",
-        "Programming Language :: Python :: 3.10",
-    ],
-    install_requires=requires,
-    extras_require=extras_require,
     packages=find_packages(
         where=".",
         include=["legateboost", "legateboost.*"],