Fix #839, move setup.py metadata & config settings into pyproject.toml, & remove requirements.txt

pyproject.toml

@@ -13,14 +13,100 @@
 # limitations under the License.
 
 [build-system]
+build-backend = "setuptools.build_meta"
 requires = [
   "packaging",
   "setuptools>=78.1.1",
+  "wheel",
   "pybind11[global]",
   # "pip install" from sources needs to build Pybind, which needs CMake too.
   "cmake~=3.28.1",
 ]
-build-backend = "setuptools.build_meta"
+
+[project]
+name = "qsimcirq"
+version = "0.23.0.dev0"
+description = "High-performance quantum circuit simulator for C++ and Python."
+authors = [
+    { name = "The qsim/qsimh Developers", email = "qsim-qsimh-dev@googlegroups.com" }
+]
+maintainers = [
+    { name = "Google Quantum AI", email = "quantum-oss-maintainers@google.com" }
+]
+license = "Apache-2.0"
+requires-python = ">=3.10.0"
+readme = "README.md"
+classifiers = [
+    "Development Status :: 5 - Production/Stable",
+    "Environment :: GPU :: NVIDIA CUDA",
+    "Intended Audience :: Developers",
+    "Intended Audience :: Science/Research",
+    "Operating System :: MacOS :: MacOS X",
+    "Operating System :: Microsoft :: Windows",
+    "Operating System :: POSIX :: Linux",
+    "Programming Language :: C++",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3.10",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
+    "Programming Language :: Python :: 3.13",
+    "Topic :: Scientific/Engineering :: Quantum Computing",
+    "Topic :: Software Development :: Libraries :: Python Modules",
+    "Typing :: Typed",
+]
+keywords = [
+    "algorithms",
+    "api",
+    "application programming interface",
+    "cirq",
+    "google quantum",
+    "google",
+    "nisq",
+    "python",
+    "quantum algorithm development",
+    "quantum circuit simulator",
+    "quantum computer simulator",
+    "quantum computing",
+    "quantum computing research",
+    "quantum programming",
+    "quantum simulation",
+    "quantum",
+    "schrödinger-feynman simulation",
+    "sdk",
+    "simulation",
+    "state vector simulator",
+    "software development kit",
+]
+dependencies = [
+    "absl-py",
+    "cirq-core~=1.0",
+    "numpy>=1.26.0",
+]
+
+[project.optional-dependencies]
+dev = [
+    "cmake~=3.28.1",
+    "black~=25.9.0",
+    "flynt~=1.0",
+    "isort[colors]~=6.0.1",
+    "pybind11[global]",
+    "pylint~=4.0.2",
+    "pytest",
+    "pytest-xdist",
+    "py-cpuinfo",
+    "setuptools>=78.1.1",
+]
+
+[project.urls]
+homepage = "https://quantumai.google/qsim"
+documentation = "https://quantumai.google/qsim"
+source = "https://github.com/quantumlib/qsim"
+download = "https://pypi.org/project/qsimcirq/#files"
+tracker = "https://github.com/quantumlib/qsim/issues"
+
+[tool.setuptools]
+packages = ["qsimcirq"]
+package-data = {"qsimcirq" = ["py.typed"]}
 
 [tool.cibuildwheel]
 test-extras = "dev"
@@ -43,3 +129,11 @@ skip = "*musllinux*"
 [tool.black]
 target-version = ['py310', 'py311', 'py312', 'py313']
 extend-exclude = 'third_party'
+
+[tool.isort]
+profile = 'black'
+order_by_type = false  # Sort alphabetically, irrespective of case.
+skip_gitignore = true
+combine_as_imports = true
+known_first_party = ["cirq*"]
+extend_skip = ["__init__.py"]

setup.py

@@ -15,7 +15,6 @@
 import os
 import platform
 import re
-import runpy
 import shutil
 import subprocess
 import sys
@@ -24,6 +23,8 @@
 from setuptools import Extension, setup
 from setuptools.command.build_ext import build_ext
 
+__version__ = "0.23.0.dev0"
+
 
 class CMakeExtension(Extension):
     def __init__(self, name, sourcedir=""):
@@ -67,6 +68,8 @@ def build_extension(self, ext):
                 "-DCMAKE_CUDA_COMPILER=nvcc",
             ]
 
+        # Append additional CMake arguments from the environment variable.
+        # This is e.g. used by cibuildwheel to force a certain C++ standard.
         additional_cmake_args = os.environ.get("CMAKE_ARGS", "")
         if additional_cmake_args:
             cmake_args += additional_cmake_args.split()
@@ -110,9 +113,7 @@ def build_extension(self, ext):
 
         env = os.environ.copy()
         cxxflags = env.get("CXXFLAGS", "")
-        env["CXXFLAGS"] = (
-            f'{cxxflags} -DVERSION_INFO=\\"{self.distribution.get_version()}\\"'
-        )
+        env["CXXFLAGS"] = f'{cxxflags} -DVERSION_INFO=\\"{__version__}\\"'
         if not os.path.exists(self.build_temp):
             os.makedirs(self.build_temp)
         subprocess.check_call(
@@ -124,42 +125,7 @@ def build_extension(self, ext):
         )
 
 
-with open("requirements.txt") as f:
-    requirements = [
-        line.strip() for line in f if line.strip() and not line.strip().startswith("#")
-    ]
-with open("dev-requirements.txt") as f:
-    dev_requirements = [
-        line.strip() for line in f if line.strip() and not line.strip().startswith("#")
-    ]
-
-description = "Schrödinger and Schrödinger-Feynman simulators for quantum circuits."
-
-# README file as long_description.
-with open("README.md", encoding="utf-8") as f:
-    long_description = f.read()
-
-__version__ = runpy.run_path("qsimcirq/_version.py")["__version__"]
-if not __version__:
-    raise ValueError("Version string cannot be empty")
-
 setup(
-    name="qsimcirq",
-    version=__version__,
-    url="https://github.com/quantumlib/qsim",
-    author="The qsim/qsimh Developers",
-    author_email="qsim-qsimh-dev@googlegroups.com",
-    maintainer="Google Quantum AI",
-    maintainer_email="quantum-oss-maintainers@google.com",
-    python_requires=">=3.10.0",
-    install_requires=requirements,
-    extras_require={
-        "dev": dev_requirements,
-    },
-    license="Apache-2.0",
-    description=description,
-    long_description=long_description,
-    long_description_content_type="text/markdown",
     ext_modules=[
         CMakeExtension("qsimcirq/qsim_avx512"),
         CMakeExtension("qsimcirq/qsim_avx2"),
@@ -170,49 +136,5 @@ def build_extension(self, ext):
         CMakeExtension("qsimcirq/qsim_decide"),
         CMakeExtension("qsimcirq/qsim_hip"),
     ],
-    cmdclass=dict(build_ext=CMakeBuild),
-    zip_safe=False,
-    packages=["qsimcirq"],
-    package_data={"qsimcirq": ["py.typed"]},
-    classifiers=[
-        "Development Status :: 5 - Production/Stable",
-        "Environment :: GPU :: NVIDIA CUDA",
-        "Intended Audience :: Developers",
-        "Intended Audience :: Science/Research",
-        "Operating System :: MacOS :: MacOS X",
-        "Operating System :: Microsoft :: Windows",
-        "Operating System :: POSIX :: Linux",
-        "Programming Language :: C++",
-        "Programming Language :: Python :: 3",
-        "Programming Language :: Python :: 3.10",
-        "Programming Language :: Python :: 3.11",
-        "Programming Language :: Python :: 3.12",
-        "Programming Language :: Python :: 3.13",
-        "Topic :: Scientific/Engineering :: Quantum Computing",
-        "Topic :: Software Development :: Libraries :: Python Modules",
-        "Typing :: Typed",
-    ],
-    keywords=[
-        "algorithms",
-        "api",
-        "application programming interface",
-        "cirq",
-        "google quantum",
-        "google",
-        "nisq",
-        "python",
-        "quantum algorithm development",
-        "quantum circuit simulator",
-        "quantum computer simulator",
-        "quantum computing",
-        "quantum computing research",
-        "quantum programming",
-        "quantum simulation",
-        "quantum",
-        "schrödinger-feynman simulation",
-        "sdk",
-        "simulation",
-        "state vector simulator",
-        "software development kit",
-    ],
+    cmdclass={"build_ext": CMakeBuild},
 )