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Update README [skip ci]
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README.md

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@@ -6,8 +6,6 @@ This repository holds the code to build [RDKit](https://github.com/rdkit/rdkit)
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pip install rdkit
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```
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**NOTE:** Older versions of RDKit might be available at the [`rdkit-pypi`](https://pypi.org/project/rdkit-pypi/) PyPI repository (`pip install rdkit-pypi`). `rdkit-pypi` is the old name of this project at PyPI. Future RDKit versions will be available at the `rdkit` PyPI repository. Please update your dependencies, i.e., change `rdkit-pypi` to `rdkit`.
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Please open an issue if you find something missing or not working as expected.
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@@ -22,7 +20,7 @@ Please open an issue if you find something missing or not working as expected.
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| ------- | ------- | --- | --------------------------------------------------- | -------------- | --- | ---- | ---- | ---- | ---- | ---- | -------------- |
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| Linux | intel | 64 | glibc >= 2.28 (e.g., Ubuntu 18.04+, CentOS 6+, ...) | last: 2024.3.5 | last: 2025.9.2 | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |
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| Linux | aarch64 | 64 | glibc >= 2.28 (e.g., Raspberry Pi, ...) | last: 2024.3.5 | last: 2025.9.2 | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | Circle CI |
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| macOS | intel | 64 | >= macOS 10.15 | last: 2024.3.5 | last: 2025.9.2 | last: 2025.9.4 | last: 2025.9.4 | last: 2025.9.4 | last: 2025.9.4 | last: 2025.9.4 | Github Actions |
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| macOS | intel | 64 | >= macOS 10.15 | last: 2024.3.5 | last: 2025.9.2 | last: 2025.9.3 | last: 2025.9.3 | last: 2025.9.3 | last: 2025.9.3 | last: 2025.9.3 | Github Actions |
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| macOS | armv8 | 64 | >= macOS 11, M-Hardware | last: 2024.3.5 | last: 2025.9.2 | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |
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| Windows | intel | 64 | | last: 2024.3.5 | last: 2025.9.2 | ✔️ | ✔️ | ✔️ | ✔️ | ✔️ | Github Actions |
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@@ -35,11 +33,11 @@ python -m pip install rdkit
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python -c "from rdkit import Chem; print(Chem.MolToMolBlock(Chem.MolFromSmiles('C1CCC1')))"
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```
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### [Poetry](https://python-poetry.org/)
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### [uv](https://docs.astral.sh/uv/getting-started/installation/)
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```bash
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poetry add rdkit
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poetry run python -c "from rdkit import Chem; print(Chem.MolToMolBlock(Chem.MolFromSmiles('C1CCC1')))"
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uv add rdkit
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uv run python -c "from rdkit import Chem; print(Chem.MolToMolBlock(Chem.MolFromSmiles('C1CCC1')))"
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```
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## Local builds on Linux
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git clone https://github.com/kuelumbus/rdkit-pypi.git
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cd rdkit-pypi
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CIBW_BUILD=cp39-manylinux_x86_64 python3 -m cibuildwheel --platform linux --output-dir wheelhouse --config-file pyproject.toml
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CIBW_BUILD=cp313-manylinux_x86_64 python3 -m cibuildwheel --platform linux --output-dir wheelhouse --config-file pyproject.toml
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```
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Replace `cp39-manylinux_x86_64` with `cp310-manylinux_x86_64`, `cp311-manylinux_x86_64`, `cp312-manylinux_x86_64`, `cp313-manylinux_x86_64`, or `cp314-manylinux_x86_64` to build for different Python
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Replace `*` in `cp*-manylinux_x86_64` with `310`, `311`, `312`, `313`, or `314` to build for different Python

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