Installation and compilation

From a local checkout, install in editable mode and compile the pybind11 backend:

python -m pip install --upgrade pip
python -m pip install -e .[test]
pytest
python -c "import cholrot; print(cholrot.backend())"

A successful compiled install prints cpp. If the extension is unavailable, cholrot falls back to the reference Python implementation and prints python.

Force the pure Python backend for comparison:

CHOLROT_PURE_PYTHON=1 pytest

Build a wheel and source distribution:

python -m pip install build
python -m build

Typical compiler requirements

cholrot uses C++17 through pybind11.

• Linux: install g++ or clang++.

• macOS: install Xcode Command Line Tools with xcode-select --install.

• Windows: install Microsoft C++ Build Tools / Visual Studio Build Tools.

The build metadata declares pybind11 as a build requirement, so pip can install it in an isolated build environment.