* 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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* 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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* 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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* Remove deprecated buildbot configuration
The buildbot system is deprecated and no longer in use.
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* 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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* 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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* 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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* 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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* 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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* 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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* 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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* 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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* 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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* 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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* 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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* 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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* 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>
1. Fetch full git history during checkout for accurate revision info
2. Set up git config earlier in the process
3. Call generate_headers.py explicitly to ensure gitrevision.h is generated
4. Remove duplicate git config
* Expansions are fully wrapped, looking good. Next step is the set of expansions that is the 1D approximation
* Get 1D approx working via cython
* Count solutions
* SuperAncillary class is working
>1000x speedup for water
Time for C++!
* Superancillaries are working!
In C++, speedup is more than 2000x. In Python, more like 150x because of Python <-> C++ overhead
* Add pmax check for PQ superancillary calls
* Update tests
* Allow T limits to be obtained
* Implement get_fluid_parameter_double for getting superanc value
* Add tests for getting parameters from superanc
* Script for testing superancillaries for sphinx
* Microoptimizations; don't help speed
The limiting factor remains the clear function, which takes about 30 ns
* Add R125 superancillary
* Use the release from fastchebpure for the files
* Drop a .gitignore in the unzipped folder
* Update superancillary injection script
* Turn on superancillaries by default
* Missing header
* Many int conversions in superancillary
* Another int cast
* More annoying solution for boost iter max
* Fix warnings
* One more warning
* Clear up the calculation of rho
* Update docs_docker-build.yml
Use arm64 since the containers were built on mac
* Superfluous ;
* Update backend.py
* Get the critical points working for superancillaries
* Fix wrapping changes of xmin&xmax methods
* squelch warnings
* Version 0 of jupyter notebook for docs
* Try to add the notebook to the docs
* Add jupyter notebook for superancillary
* Lots of updates to superancillary notebook
* More updates to docs
* Skip pseudo-pure for superancillary docs
* Fix output of superancillary figures
* Add superancillary plots to docs for the page for each fluid
* Make a placeholder figure for fluids without superancillary
* Add superancillary plots to task list
* Bump to release fixing m-xylene
* Relax the location of the REFPROP stuff
* Change default name for R-1336mzz(E)
* No need for figures to be so large
* Don't need REFPROP setting
* Bump to fastchebpure release with methanol
* Benchmark caching options
* Benchmark more granularly
* Add the fast methods to public API for HEOS class
* Back to memset - can memset with 0 but no other value
* Fix how caching is managed in Helmholtz class
* Close to final implementation
Perhaps a tiny bit more optimization possible?
* Update function name
* Make message more accurate
* Fix init order
* Expose update_QT_pure_superanc to Python
* Fix when _reducing is set for pures
* Fix the post_update
* Indent
* Notebook
* Notebook
* Make ln(p) construction lazy
Only really matters for debug builds
* Also make reference non-const
* Inject superancillary for methanol
* Make the superancillary loading entirely lazy in debug
* Fix PH bug for Nitrogen
Closes#2470
* Force the clear to be called on SatL and SatV
To invalidate them at start
* Default is non-lazy superancillary loading
* Add CMake option to have lazy-loading superancillaries [skip ci]
Not a good idea unless doing very narrow testing
