Poetry run python -c "from rdkit import Chem print(Chem.MolToMolBlock(Chem.MolFromSmiles('C1CCC1')))" Local builds on LinuxĬibuildwheel requires patchelf ( apt install patchelf) python3 -m pip install cibuildwheelĬIBW_BUILD =cp37-manylinux_x86_64 python3 -m cibuildwheel -platform linux -output-dir wheelhouse -config-file pyproject.toml Python -c "from rdkit import Chem print(Chem.MolToMolBlock(Chem.MolFromSmiles('C1CCC1')))" Poetry poetry add rdkit Installation PIP python -m pip install rdkit Please open an issue if you find something missing or not working as expected. ![]() ![]() Please update your dependencies, i.e., change rdkit-pypi to rdkit. Future RDKit versions will be available at the rdkit PyPI repository. rdkit-pypi is the old name of this project at PyPI. NOTE: Older versions of RDKit might be available at the rdkit-pypi PyPI repository ( pip install rdkit-pypi). RDKit can easily be installed using pip install rdkit ![]() The wheels contain the compiled platform-specific dynamic libraries ( *.so, *.dylib, and *.dll) and are available at PyPI. This repository holds the code to build RDKit platform wheels for Linux, macOS, and Windows on Github Action and Circle CI.
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