# Install packmol

Packing optimization for molecular dynamics simulations. Version 21.2.3 via Homebrew; verified 2026-05-27.

## Install

```sh
sudo av install brew:packmol
```

Additional install commands:

### macOS

- Homebrew (100%):

```sh
brew install packmol
```

  Evidence: local Homebrew formula metadata

### Linux

- Debian apt (92%):

```sh
sudo apt install packmol
```

  Evidence: Debian stable package indexes: packmol from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz

- dnf (92%):

```sh
sudo dnf install packmol
```

  Evidence: Fedora Rawhide package metadata: packmol from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst

## Package Facts

- **Package key:** brew:packmol
- **Package manager:** Homebrew
- **Package manager URL:** <https://formulae.brew.sh/formula/packmol>
- **Version:** 21.2.3
- **Source summary:** Packing optimization for molecular dynamics simulations
- **Homepage:** <https://www.ime.unicamp.br/~martinez/packmol/>
- **Repository:** <https://github.com/m3g/packmol>
- **Upstream docs:** <https://m3g.github.io/packmol>
- **License:** MIT
- **Source archive:** <https://github.com/m3g/packmol/archive/refs/tags/v21.2.3.tar.gz>
- **Last updated:** 2026-05-27T15:52:21Z
- **Generated:** 2026-06-10T07:18:26+00:00

## Executables

- packmol (cli)
- packmol (alias)

## Dependencies

- gcc

## Build Dependencies

- cmake

## Install Behavior

- Post-install hook: not defined
- Bottle: available on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux

## Freshness

- Page generated: 2026-06-10
- Package-manager version: 21.2.3
- Package-manager updated: 2026-05-27
- Local data status: ok
- Upstream repository: https://github.com/m3g/packmol
- Upstream latest detected: v21.2.3 (current)

## 安全说明

narrow executable package without higher-risk signals.

- **Geiger risk:** green / low
- narrow executable package without higher-risk signals

## Source Database Details

- **Source Database:** Homebrew formula API
- **Tap:** homebrew/core
- **Full Name:** packmol
- **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

## Other Package-Manager Records

- Debian apt - packmol - 1:21.0.2-2: normalized package name match | Debian stable package indexes: packmol from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Initial configurations for Molecular Dynamics Simulations | http://m3g.iqm.unicamp.br/packmol/
- Ubuntu apt - packmol - 1:20.14.3-1: normalized package name match | Ubuntu 24.04 LTS package indexes: packmol from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Initial configurations for Molecular Dynamics Simulations | http://m3g.iqm.unicamp.br/packmol/
- dnf - packmol - 21.1.0-3.fc44: normalized package name match | Fedora Rawhide package metadata: packmol from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | Packing optimization for molecular dynamics simulations | https://m3g.github.io/packmol


## Related Links

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- [Homebrew utility packages](https://www.automicvault.com/zh-hans/pkg/brew-utility-packages/) - Matched Homebrew package provider.
- [gcc](https://www.automicvault.com/zh-hans/pkg/brew/gcc/) - Runtime dependency declared by Homebrew.
- [cmake](https://www.automicvault.com/zh-hans/pkg/brew/cmake/) - Build dependency declared by Homebrew.
- [gabedit](https://www.automicvault.com/zh-hans/pkg/brew/gabedit/) - Shares av.db curated category or tags: chemistry, cli, molecular-modeling, science.
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- [cp2k](https://www.automicvault.com/zh-hans/pkg/brew/cp2k/) - Shares av.db curated category or tags: cli, molecular-dynamics, science, simulation.
- [ode](https://www.automicvault.com/zh-hans/pkg/brew/ode/) - Shares av.db curated category or tags: cli, science, simulation.
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- [gromacs](https://www.automicvault.com/zh-hans/pkg/brew/gromacs/) - Shares av.db curated category or tags: cli, molecular-dynamics, science.
- [nwchem](https://www.automicvault.com/zh-hans/pkg/brew/nwchem/) - Local package facts share a topical domain. Shared terms: chemistry, cli, gcc, molecular, science.

## Sources

- Nucleus package database
- Geiger risk classifier
- package-page enrichment
- package version freshness
- av.db category and tag curation
- package relationship graph
- external package-manager database matches
- cross-ecosystem install command graph