# 使用 Homebrew, MacPorts, pacman, apt 安装 rdkit

查看 rdkit 的安装路径、可执行文件、元数据以及面向 AI 代理工作流的安全说明。

## 安装

```sh
sudo av install brew:rdkit
```

其他安装命令:

### macOS

- Homebrew (100%):

```sh
brew install rdkit
```

  证据: local Homebrew formula metadata

- MacPorts (94%):

```sh
sudo port install rdkit
```

  证据: MacPorts ports tree: science/rdkit/Portfile from https://api.github.com/repos/macports/macports-ports/git/trees/master?recursive=1

### Linux

- pacman (92%):

```sh
sudo pacman -S rdkit
```

  证据: Arch Linux sync databases: rdkit from https://geo.mirror.pkgbuild.com/extra/os/x86_64/extra.db.tar.gz

- Debian apt (92%):

```sh
sudo apt install librdkit-dev
```

  证据: Debian stable package indexes: librdkit-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz

## 软件包事实

- **软件包键:** brew:rdkit
- **软件包管理器:** Homebrew
- **软件包管理器页面:** <https://formulae.brew.sh/formula/rdkit>
- **版本:** 2026.03.5
- **来源摘要:** Open-source chemoinformatics library
- **主页:** <https://rdkit.org/>
- **仓库:** <https://github.com/rdkit/rdkit>
- **上游文档:** <https://rdkit.org/>
- **许可证:** BSD-3-Clause
- **源码归档:** <https://github.com/rdkit/rdkit/archive/refs/tags/Release_2026_03_5.tar.gz>
- **最后更新:** 2026-08-01T19:06:24Z
- **已生成:** 2026-08-04T22:13:35+00:00

## 依赖

- boost
- boost-python3
- cairo
- coordgen
- eigen
- freetype
- inchi
- maeparser
- numpy
- py3cairo
- python@3.14

## 构建依赖

- catch2
- cmake
- pkgconf
- postgresql@17
- postgresql@18

## macOS 提供的库

- expat

## 安装行为

- post-install 钩子: 未定义
- 注意事项: You may need to add RDBASE to your environment variables, e.g. export RDBASE="\$HOMEBREW_PREFIX/opt/rdkit/share/RDKit"
- Bottle: 可用 于 arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux

## 版本和新鲜度

- 页面生成时间: 2026-08-04
- 管理器版本: 2026.03.5
- 管理器更新时间: 2026-08-01
- 本地数据: OK
- 上游仓库: https://github.com/rdkit/rdkit
- 信息: No cached GitHub release or tag data was available.

## 安全说明

没有找到 rdkit 的匹配本地密钥处理 manifest。软件包元数据仍在此发布，以便未来覆盖拥有稳定的软件包 URL。


## 源数据库详情

- **Source Database:** Homebrew formula API
- **Tap:** homebrew/core
- **Full Name:** rdkit
- **Version Scheme:** 0
- **Revision:** 0
- **Head Version:** HEAD
- **Bottle Stable Root URL:** <https://ghcr.io/v2/homebrew/core>
- **Deprecated:** no
- **Disabled:** no
- **Keg Only:** no
- **URL Keys:** head, stable

## 其他软件包管理器记录

- 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 - 2026.03.4-1: 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


## 相关链接

- [Networking and protocol packages](https://pkg.so/zh-hans/networking-protocol-tools/) - Matched network, protocol, or remote-service metadata.
- [Source-control packages](https://pkg.so/zh-hans/source-control-tools/) - Matched curated package taxonomy and local package facts.
- [python@3.14](https://pkg.so/zh-hans/brew/python-3-14/) - Runtime dependency declared by Homebrew.
- [freetype](https://pkg.so/zh-hans/brew/freetype/) - Runtime dependency declared by Homebrew.
- [cairo](https://pkg.so/zh-hans/brew/cairo/) - Runtime dependency declared by Homebrew.
- [numpy](https://pkg.so/zh-hans/brew/numpy/) - Runtime dependency declared by Homebrew.
- [pkgconf](https://pkg.so/zh-hans/brew/pkgconf/) - Build dependency declared by Homebrew.
- [cmake](https://pkg.so/zh-hans/brew/cmake/) - Build dependency declared by Homebrew.
- [postgresql@17](https://pkg.so/zh-hans/brew/postgresql-17/) - Build dependency declared by Homebrew.
- [postgresql@18](https://pkg.so/zh-hans/brew/postgresql-18/) - Build dependency declared by Homebrew.
- [opencv](https://pkg.so/zh-hans/brew/opencv/) - Both packages touch the same language runtime or ecosystem. Shared terms: eigen, freetype, numpy, open, python.
- [pymol](https://pkg.so/zh-hans/brew/pymol/) - Both packages touch the same language runtime or ecosystem. Shared terms: freetype, numpy, open, open-source, python.
- [manim](https://pkg.so/zh-hans/brew/manim/) - Both packages touch the same language runtime or ecosystem. Shared terms: cairo, freetype, numpy, py3cairo, python.

## 来源

- pkg.so package database
- package-page enrichment
- package version freshness
- package relationship graph
- external package-manager database matches
- cross-ecosystem install command graph