# 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

## 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:** 2026.03.2
- **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_2.tar.gz>
- **更新:** 2026-05-01T10:23:56Z
- **生成来源:** 2026-05-26T22:45:13+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

## 安装行为

- post-install 钩子: 未定义
- Caveats: 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

## 新鲜度

- 页面生成时间: 2026-05-26
- 管理器版本: 2026.03.2
- 管理器更新时间: 2026-05-01
- 本地数据: ok
- 上游仓库: https://github.com/rdkit/rdkit
- info: No cached GitHub release or tag data was available.

## 安全说明

no executable entrypoint in the package index.

- **Geiger 风险:** green / low
- no executable entrypoint in the package index

## 相关链接

- [python@3.14](https://www.automicvault.com/pkg/brew/python-3-14/) - Runtime dependency declared by Homebrew.
- [freetype](https://www.automicvault.com/pkg/brew/freetype/) - Runtime dependency declared by Homebrew.
- [cairo](https://www.automicvault.com/pkg/brew/cairo/) - Runtime dependency declared by Homebrew.
- [boost](https://www.automicvault.com/pkg/brew/boost/) - Runtime dependency declared by Homebrew.
- [numpy](https://www.automicvault.com/pkg/brew/numpy/) - Runtime dependency declared by Homebrew.
- [eigen](https://www.automicvault.com/pkg/brew/eigen/) - Runtime dependency declared by Homebrew.
- [py3cairo](https://www.automicvault.com/pkg/brew/py3cairo/) - Runtime dependency declared by Homebrew.
- [boost-python3](https://www.automicvault.com/pkg/brew/boost-python3/) - Runtime dependency declared by Homebrew.
- [pkgconf](https://www.automicvault.com/pkg/brew/pkgconf/) - Build dependency declared by Homebrew.
- [cmake](https://www.automicvault.com/pkg/brew/cmake/) - Build dependency declared by Homebrew.
- [postgresql@17](https://www.automicvault.com/pkg/brew/postgresql-17/) - Build dependency declared by Homebrew.
- [postgresql@18](https://www.automicvault.com/pkg/brew/postgresql-18/) - Build dependency declared by Homebrew.

## 来源

- Nucleus package database
- Geiger risk classifier
- package-page enrichment
- package version freshness
- package relationship graph
- cross-ecosystem install command graph