* 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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Co-Authored-By: Claude <noreply@anthropic.com>
* Remove pdsim
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Co-authored-by: Claude <noreply@anthropic.com>
* Add Windows Instructions and example
I added how to use the wrapper for Windows through the shared library. There might be a better way using the static library, but I believe this method works for 99% of use cases.
* Update Windows setup instructions in Fluent README
Clarified and expanded the step-by-step instructions for setting up CoolProp with Fluent on Windows. Added details about launching Fluent, using absolute paths, and using '//' in paths. Improved clarity and fixed minor typos.
* Update Windows instructions in Fluent wrapper README
Added clarification about limitations of using the shared library method and recommended using a static library for more robust results. Minor formatting and wording improvements were also made to the step-by-step instructions.
* Run clang-format with claude code and fix VS warnings
* More clang-format
* And the tests too
* Cleanup from clang-tidy
* More constness and modernization
* Cleanup and modernization
* Add ability to get at the ideal-gas properties directly
Also through the python interface
* And python interface files
* Fixes the missing reference to ideal gas notebook
* Optimize the calling speed of IdealHelmholtzPlanckEinsteinGeneralized::all
Something like 2x faster; exp is the remainder
* Add function to get all alpha0 derivatives at once (they are all calculated every time anyhow)
* Add note about the weird naming
* Add profiling snippet
* Also implement properly for mixtures
* And also move to unchecked update function
Restructure the monolithic 2,235-line CMakeLists.txt into a clean,
modular architecture for better maintainability and clarity.
Changes:
- Main CMakeLists.txt reduced from 2,235 to 71 lines (96.8% reduction)
- Extract build options to cmake/Options.cmake (73 lines)
- Extract compiler configuration to cmake/Compiler.cmake (115 lines)
- Extract version info to cmake/Version.cmake (20 lines)
- Extract source discovery to cmake/Sources.cmake (88 lines)
- Extract dependencies to cmake/Dependencies.cmake (76 lines)
- Extract core library builds to cmake/CoreLibrary.cmake (348 lines)
- Extract all language wrappers to cmake/Wrappers.cmake (1,198 lines)
- Extract testing config to cmake/Testing.cmake (176 lines)
- Add wrapper utilities to cmake/wrappers/Common.cmake (40 lines)
Benefits:
- Clear separation of concerns
- Easier to maintain and modify individual components
- Better readability with organized structure
- Reduced merge conflicts for collaborative development
- Main CMakeLists.txt now serves as clear table of contents
Tested: CMake configuration runs successfully with no warnings
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Co-Authored-By: Claude <noreply@anthropic.com>
* Make improvements in the critical region for subcritical pressures for P+{H,S,U}
See #2594
* Fix starting temperature for 2D Newton
* Switch to TOMS748 instead of Brent; resort the steps
* Enable TOMS748 properly
* boost fixes
* Always recalculate the critical point to be consistent with the use (or not) of superancillaries. The _crit struct is loaded from file but not necessarily in agreement
* Don't recalculate phase - why does this make things work again?
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
Use regex with negative lookbehind to avoid splitting names like '1,2-dichloroethane'
into separate aliases. This fixes the issue where chemical names containing
numbers and commas were being incorrectly split.
