removed deprecated setup.cfg build system. added pyproject.toml build…

… system. inverted __version__ so that it reads from the build system rather than the other way around.

MuyGPyS/__init__.py

@@ -5,7 +5,9 @@
 
 """Public MuyGPyS modules and functions."""
 
-__version__ = "0.8.2"
+import importlib.metadata
+
+__version__ = importlib.metadata.version(__package__)
 
 from MuyGPyS._src.config import (
     config as config,

README.md

@@ -261,20 +261,18 @@ This repository includes several `extras_require` optional dependencies.
 - `tests` - install dependencies necessary to run [tests](tests/)
 - `docs` - install dependencies necessary to build the docs
 - `dev` - install dependencies for maintaining code style, running performance
-benchmarks, linting, and  packaging (includes all of the dependencies in `tests`
-and `docs`).
+benchmarks, linting, and packaging
 
 For example, follow these instructions to install from source for development 
-purposes with JAX support:
+purposes with CPU JAX support:
 ```
 $ git clone git@github.com:LLNL/MuyGPyS.git
 $ cd MuyGPyS
 $ pip install -e .[dev,jax_cpu]
 ```
 
 If you would like to perform a GPU installation from source, you will need to
-install the jax dependency directly instead of using the `jax_cuda` flag or
-similar.
+install the JAX dependency directly.
 
 Additionally check out the develop branch to access the latest features in 
 between stable releases.
@@ -293,7 +291,7 @@ parallel computation
 - `tests` - install dependencies necessary to run [tests](tests/)
 - `docs` - install dependencies necessary to build the [docs](docs/)
 - `dev` - install dependencies for maintaining code style, linting, and 
-packaging (includes all of the dependencies in `tests` and `docs`)
+packaging
 
 ## Building Docs
 

pyproject.toml

@@ -0,0 +1,97 @@
+# Copyright 2021-2024 Lawrence Livermore National Security, LLC and other
+# MuyGPyS Project Developers. See the top-level COPYRIGHT file for details.
+#
+# SPDX-License-Identifier: MIT
+
+build-backend = "setuptools.build_meta"
+[build-system]
+requires = ["setuptools >= 68.0.0"]
+
+[project]
+name = "muygpys"
+version = "0.9.0"
+authors = [
+    {name = "Min W. Priest" },
+]
+description = "Scalable Approximate Gaussian Process using Sparse Kriging"
+readme = "README.md"
+license = { file = "LICENSE-MIT" }
+requires-python = ">=3.10"
+classifiers = [
+    "Programming Language :: Python :: 3.8",
+    "Programming Language :: Python :: 3.9",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
+    "License :: OSI Approved :: MIT License",
+    "Operating System :: MacOS",
+    "Operating System :: POSIX :: Linux",
+    "Topic :: Software Development",
+    "Topic :: Software Development :: Libraries",
+    "Topic :: Software Development :: Libraries :: Python Modules",
+    "Topic :: Scientific/Engineering",
+    "Topic :: Scientific/Engineering :: Mathematics",
+    "Intended Audience :: Science/Research",
+    "Intended Audience :: Developers",
+    "Intended Audience :: Education",
+    "Development Status :: 3 - Alpha",
+]
+dependencies = [
+    "numpy>=1.18.5",
+    "scipy>=1.9.0",
+    "scikit-learn>=0.23.2",
+    "bayesian-optimization>=1.4.2",
+]
+
+[project.urls]
+homepage = "https://github.com/LLNL/MuyGPyS"
+source = "https://github.com/LLNL/MuyGPyS"
+download = "https://pypi.org/project/muygpys"
+documentation = "https://muygpys.readthedocs.io"
+tracker = "https://github.com/LLNL/MuyGPyS/issues"
+
+[project.optional-dependencies]
+test = [
+    "absl-py>=0.13.0",
+    "matplotlib>=3.2.1",
+    "pandas==1.5.2",
+]
+dev = [
+    "black>=21.1.0",
+    "build>=0.7.0",
+    "mypy>=0.910",
+    "twine>=3.7.1",
+    "h5py>=3.7.0",
+]
+docs = [
+    "sphinx==6.2.1",
+    "sphinx-rtd-theme==1.2.2",
+    "sphinx-autodoc-typehints==1.22",
+    "matplotlib>=3.2.1",
+    "nbsphinx==0.9.2",
+    "pandas==1.5.2",
+    "pandoc==2.3.0",
+    "pandocfilters==1.5.0",
+    "ipython==7.30.1",
+    "ipykernel==6.6.0",
+    "torchvision>=0.14.1",
+    "cblind>=2.3.1",
+]
+hnswlib = [
+    "pybind11>=2.5.0",
+    "hnswlib>=0.6.0",
+]
+jax_cpu = [
+    "jax[cpu]>=0.2.26",
+    "tensorflow-probability[jax]>=0.16.0",
+]
+mpi = [
+    "mpi4py==3.1.3",
+]
+torch = [
+    "torch>=1.13.0",
+    "torchvision>=0.14.1",
+]
+
+[tool.setuptools]
+packages = ["MuyGPyS"]