# Install rdkit with Homebrew, apt, MacPorts, pacman Nucleus package metadata for rdkit, from local Automic Vault package sources. Version 2026.03.3 via Homebrew; verified from local package data. ## Install ```sh sudo av install brew:rdkit ``` Additional install commands: ### macOS - Homebrew (100%): ```sh brew install rdkit ``` Evidence: local Homebrew formula metadata - MacPorts (94%): ```sh sudo port install rdkit ``` Evidence: MacPorts ports tree: science/rdkit/Portfile from https://api.github.com/repos/macports/macports-ports/git/trees/master?recursive=1 ### Linux - Debian apt (92%): ```sh sudo apt install librdkit-dev ``` Evidence: Debian stable package indexes: librdkit-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz - pacman (92%): ```sh sudo pacman -S rdkit ``` Evidence: Arch Linux sync databases: rdkit from https://geo.mirror.pkgbuild.com/extra/os/x86_64/extra.db.tar.gz ## Package facts - **Package key:** brew:rdkit - **Package manager:** Homebrew - **Package manager page:** - **Version:** 2026.03.3 - **Source summary:** Nucleus package metadata for rdkit, from local Automic Vault package sources. - **Homepage:** - **Repository:** - **Upstream docs:** - **License:** BSD-3-Clause - **Source archive:** - **Generated:** 2026-07-08T07:18:31+00:00 ## Dependencies - boost - boost-python3 - cairo - coordgen - eigen - freetype - inchi - maeparser - numpy - py3cairo - python@3.14 ## Build dependencies - catch2 - cmake - pkgconf - postgresql@17 - postgresql@18 ## Install behavior - Post-install hook: not defined - Caveats: You may need to add RDBASE to your environment variables, e.g. export RDBASE="\$HOMEBREW_PREFIX/opt/rdkit/share/RDKit" - Bottle: available on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux ## Freshness - Page generated: 2026-07-08 - Package-manager version: 2026.03.3 - Local data: ok - Upstream repository: https://github.com/rdkit/rdkit - info: No package-manager update timestamp was available. - info: No cached GitHub release or tag data was available. ## Security Notes No matching local secret-handling manifest was found for rdkit. Nucleus package metadata is still published here so future coverage has a stable package URL. ## Source Database Details - **Source Database:** Homebrew formula API - **Tap:** homebrew/core - **Full Name:** rdkit - **Version Scheme:** 0 - **Revision:** 0 - **Head Version:** HEAD - **Bottle Stable Root URL:** - **Deprecated:** no - **Disabled:** no - **Keg Only:** no - **URL Keys:** head, stable ## Other Package-Manager Records - Debian apt - librdkit-dev - 202503.1-4: normalized package name match | Debian stable package indexes: librdkit-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Collection of cheminformatics and machine-learning software (development files) | http://www.rdkit.org - Debian apt - librdkit1t64 - 202503.1-4: normalized package name match | Debian stable package indexes: librdkit1t64 from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Collection of cheminformatics and machine-learning software (shared libraries) | http://www.rdkit.org - Debian apt - postgresql-17-rdkit - 202503.1-4: normalized package name match | Debian stable package indexes: postgresql-17-rdkit from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Cheminformatics and machine-learning software (PostgreSQL Cartridge) | http://www.rdkit.org - Debian apt - python3-rdkit - 202503.1-4: normalized package name match | Debian stable package indexes: python3-rdkit from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Collection of cheminformatics and machine-learning software | http://www.rdkit.org - Debian apt - rdkit-data - 202503.1-4: normalized package name match | Debian stable package indexes: rdkit-data from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Collection of cheminformatics and machine-learning software (data files) | http://www.rdkit.org - Debian apt - rdkit-doc - 202503.1-4: normalized package name match | Debian stable package indexes: rdkit-doc from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Collection of cheminformatics and machine-learning software (documentation) | http://www.rdkit.org - Ubuntu apt - librdkit-dev - 202309.3-3build2: normalized package name match | Ubuntu 24.04 LTS package indexes: librdkit-dev from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Collection of cheminformatics and machine-learning software (development files) | http://www.rdkit.org - Ubuntu apt - librdkit1 - 202309.3-3build2: normalized package name match | Ubuntu 24.04 LTS package indexes: librdkit1 from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Collection of cheminformatics and machine-learning software (shared libraries) | http://www.rdkit.org - Ubuntu apt - postgresql-16-rdkit - 202309.3-3build2: normalized package name match | Ubuntu 24.04 LTS package indexes: postgresql-16-rdkit from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Cheminformatics and machine-learning software (PostgreSQL Cartridge) | http://www.rdkit.org - Ubuntu apt - python3-rdkit - 202309.3-3build2: normalized package name match | Ubuntu 24.04 LTS package indexes: python3-rdkit from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Collection of cheminformatics and machine-learning software | http://www.rdkit.org - Ubuntu apt - rdkit-data - 202309.3-3build2: normalized package name match | Ubuntu 24.04 LTS package indexes: rdkit-data from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Collection of cheminformatics and machine-learning software (data files) | http://www.rdkit.org - Ubuntu apt - rdkit-doc - 202309.3-3build2: normalized package name match | Ubuntu 24.04 LTS package indexes: rdkit-doc from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Collection of cheminformatics and machine-learning software (documentation) | http://www.rdkit.org - pacman - rdkit - 2026.03.3-1: normalized package name match | Arch Linux sync databases: rdkit from https://geo.mirror.pkgbuild.com/extra/os/x86_64/extra.db.tar.gz | Open-source toolkit for cheminformatics | https://github.com/rdkit/rdkit - MacPorts - rdkit: normalized package name match | MacPorts ports tree: science/rdkit/Portfile from https://api.github.com/repos/macports/macports-ports/git/trees/master?recursive=1 ## Related links - [Networking and protocol packages](https://www.automicvault.com/pkg/networking-protocol-tools/) - Matched network, protocol, or remote-service metadata. - [Language runtime packages](https://www.automicvault.com/pkg/language-runtime-packages/) - Matched curated package taxonomy and local package facts. - [cairo](https://www.automicvault.com/pkg/brew/cairo/) - Runtime dependency declared by Homebrew. - [freetype](https://www.automicvault.com/pkg/brew/freetype/) - Runtime dependency declared by Homebrew. - [inchi](https://www.automicvault.com/pkg/brew/inchi/) - Runtime dependency declared by Homebrew. - [cmake](https://www.automicvault.com/pkg/brew/cmake/) - Build dependency declared by Homebrew. - [pkgconf](https://www.automicvault.com/pkg/brew/pkgconf/) - Build dependency declared by Homebrew. - [postgresql@17](https://www.automicvault.com/pkg/brew/postgresql-17/) - Build dependency declared by Homebrew. - [manim](https://www.automicvault.com/pkg/brew/manim/) - Both packages touch the same language runtime or ecosystem. Shared terms: cairo, freetype, numpy, py3cairo, python. - [open-babel](https://www.automicvault.com/pkg/brew/open-babel/) - Both packages touch the same language runtime or ecosystem. Shared terms: cairo, eigen, inchi, python, python-3-14. - [opencv](https://www.automicvault.com/pkg/brew/opencv/) - Both packages touch the same language runtime or ecosystem. Shared terms: eigen, freetype, numpy, python, python-3-14. ## Sources - package-page enrichment - package version freshness - package relationship graph - external package-manager database matches - cross-ecosystem install command graph