This repository holds the code to build RDKit platform wheels for Linux, macOS, and Windows. The wheels are available at the PyPi repository and can be installed using pip (pip install rdkit-pypi).
Please open an issue if you find something missing or not working as expected.
| OS | Version/Conditions | Python |
|---|---|---|
| Linux (x86_64) | glibc >= 2.17 (e.g., Ubuntu 16.04+, CentOS 6+, ...) | 3.6, 3.7, 3.8, 3.9, 3.10 |
| macOS (x86_64) | >= 10.9 | 3.6, 3.7, 3.8, 3.9, 3.10 |
| Windows (x86_64) | 3.6, 3.7, 3.8, 3.9 |
python -m pip install rdkit-pypi
python -c "from rdkit import Chem; print(Chem.MolToMolBlock(Chem.MolFromSmiles('C1CCC1')))"poetry add rdkit-pypi
poetry run python -c "from rdkit import Chem; print(Chem.MolToMolBlock(Chem.MolFromSmiles('C1CCC1')))"cibuildwheel uses patchelf (apt install patchelf)
git clone https://github.com/kuelumbus/rdkit_platform_wheels.git
cd rdkit_platform_wheels
python3.8 -m pip install cibuildwheel
CIBW_BUILD_VERBOSITY=1 CIBW_MANYLINUX_X86_64_IMAGE=manylinux2014 cibuildwheel --platform linux --output-dir wheelhouse