Files
Ian Bell 70d03056e0 Modernize Python build system to use scikit-build-core (#2632)
* Modernize Python build system to use scikit-build-core

This commit replaces the old setuptools-based build system with a modern
scikit-build-core + CMake build system for the Python bindings.

Key changes:
- Replace setup.py with pyproject.toml using scikit-build-core backend
- Create new CMakeLists.txt for Cython module compilation
- Add FindCython.cmake helper module
- Update README from .rst to .md format
- Enable incremental builds with proper CMake dependency tracking
- Support Python 3.8-3.14 with proper Cython directives

Benefits:
- Incremental builds work correctly (only rebuild changed files)
- Modern PEP 517/518 compliant build system
- Build artifacts cached in build/{wheel_tag} directories
- Better integration with pip and modern Python tooling
- No more need for custom _py_backend build hooks

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Co-Authored-By: Claude <noreply@anthropic.com>

* Add build-time file generation and ignore generated files

This commit adds the missing build-time steps from setup.py:
- Header generation from JSON files (generate_headers.py)
- Cython constants module generation (generate_constants_module.py)
- Copying headers, fmtlib, and BibTeX file to package directory

Also updates .gitignore to ignore:
- wrappers/Python/CoolProp/include/ (generated during build)
- wrappers/Python/CoolProp/CoolPropBibTeXLibrary.bib (copied during build)

Includes test script to verify wheel contents match between old and new build approaches.

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Co-Authored-By: Claude <noreply@anthropic.com>

* Set CMAKE_POSITION_INDEPENDENT_CODE for shared library build

Enable -fPIC flag for all targets to ensure proper shared library compilation.

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Co-Authored-By: Claude <noreply@anthropic.com>

* Remove deprecated buildbot configuration

The buildbot system is deprecated and no longer in use.

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Co-Authored-By: Claude <noreply@anthropic.com>

* Update extract_version.py to use .version file instead of setup.py

With the migration to scikit-build-core, version information is now stored
in the .version file and read by pyproject.toml. Updated the script to:

- Rename replace_setup_py() to replace_version_file()
- Update .version file instead of modifying setup.py
- Change --replace-setup-py flag to --replace-version

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Co-Authored-By: Claude <noreply@anthropic.com>

* Update build scripts and documentation for scikit-build-core

Changes:
- Updated documentation to show modern pip-based installation
- Updated manylinux build script to use pip wheel instead of setup.py
- Updated conda metadata generator to use pip install
- Removed deprecated PyPI preparation script (replaced by `python -m build --sdist`)

All build infrastructure now uses the new scikit-build-core build system.

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Co-Authored-By: Claude <noreply@anthropic.com>

* Update manylinux Docker script for scikit-build-core

Removed SETUP_PY_ARGS since cmake options are no longer passed via
setup.py arguments. The new build system uses CMake directly via
scikit-build-core. Also fixed typo and updated install_root path.

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Co-Authored-By: Claude <noreply@anthropic.com>

* Remove deprecated _py_backend custom build backend

The _py_backend was a custom setuptools build backend wrapper used
with the old setup.py build system. It's no longer needed with
scikit-build-core.

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Co-Authored-By: Claude <noreply@anthropic.com>

* Add uv package manager documentation

Added section on using uv (Astral's fast Python package manager) to
install and work with CoolProp. Includes examples for:
- Installing in current environment
- Creating new projects with CoolProp
- Running scripts with automatic environment management
- Development installations from source

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Co-Authored-By: Claude <noreply@anthropic.com>

* Fix sdist packaging and update scikit-build-core config

Changes:
- Updated pyproject.toml to use newer scikit-build-core config syntax
  - cmake.minimum-version → cmake.version
  - cmake.verbose → build.verbose
- Added sdist.include to ensure .version file is in source distributions
- Added .version to MANIFEST.in for completeness

This fixes the issue where building a wheel from an sdist would fail
due to missing .version file. Now sdist → wheel builds work correctly.

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Co-Authored-By: Claude <noreply@anthropic.com>

* Rename setup.py to deprecated_setup.py

The old setuptools-based build system has been fully replaced with
scikit-build-core. Renaming setup.py to deprecated_setup.py to:
- Clearly indicate it's no longer the primary build method
- Keep it available for reference and backward compatibility
- Prevent accidental use of the old build system

Users should now use: pip install .

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Co-Authored-By: Claude <noreply@anthropic.com>

* Update GitHub Actions workflows for new build system

Changes:
- Replace --replace-setup-py with --replace-version flag
- Update sdist build to use 'python -m build --sdist' instead of deprecated prepare_pypi.py
- Workflows now work with scikit-build-core build system

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Co-Authored-By: Claude <noreply@anthropic.com>

* Fix cibuildwheel to build from repository root

With scikit-build-core, the pyproject.toml is at the repository root,
not in wrappers/Python/. Updated cibuildwheel configuration:
- Changed package-dir from ./wrappers/Python/ to .
- Removed redundant CIBW_BEFORE_BUILD (dependencies are in pyproject.toml)
- Build dependencies are now automatically installed by pip from pyproject.toml

This fixes the "Multiple top-level packages discovered" error.

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Co-Authored-By: Claude <noreply@anthropic.com>

* Set macOS deployment target to 11.0 in pyproject.toml

Configure MACOSX_DEPLOYMENT_TARGET=11.0 (Big Sur) in cibuildwheel config.
This matches the setting in GitHub Actions and ensures wheels are built
with consistent compatibility for macOS 11.0 and later.

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Co-Authored-By: Claude <noreply@anthropic.com>

* Remove old pyproject.toml from wrappers/Python

This file was used by the old setuptools build system. With
scikit-build-core, the main pyproject.toml at the repository root
is now used for all Python packaging configuration.

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Co-Authored-By: Claude <noreply@anthropic.com>

* Remove redundant PyPy skip selector from cibuildwheel

The 'pp*' skip selector was causing a warning because PyPy isn't enabled
in the build matrix anyway. Since we explicitly specify only CPython
versions in the build directive (cp38-*, cp39-*, etc.), the pp* skip is
unnecessary.

Fixes warning: "Invalid skip selector: 'pp*'. This selector matches a
group that wasn't enabled."

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Co-Authored-By: Claude <noreply@anthropic.com>

* Update fmtlib from 11.1.3 to 12.0.0

Updated the fmtlib submodule to the latest stable release (12.0.0).

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* Remove pdsim

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Co-authored-by: Claude <noreply@anthropic.com>
2025-10-11 13:07:10 -04:00
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