macOS
Homebrewverified · 100%
brew install gromacslocal Homebrew formula metadata
MacPortsverified · 94%
sudo port install gromacsMacPorts ports tree · science/gromacs/Portfile · source: api.github.com
安装
使用 Automic Vault 安装
Automic Vault
sudo av install brew:gromacsLinux
Debian aptverified · 92%
sudo apt install gromacsDebian stable package indexes · gromacs · source: deb.debian.org
Fedora dnfverified · 92%
sudo dnf install gromacsFedora Rawhide package metadata · gromacs · source: dl.fedoraproject.org
Nixverified · 92%
nix profile install nixpkgs#gromacsnixpkgs package indexes · gromacs · source: raw.githubusercontent.com
openSUSE zypperverified · 92%
sudo zypper install gromacsopenSUSE Tumbleweed package metadata · gromacs · source: download.opensuse.org
软件包管理器来源
平台说明
- 没有特定于此软件包的平台说明。
概览
软件包摘要
Versatile package for molecular dynamics calculations
主页
命令和别名
- gmx
安全态势
风险级别：green
narrow executable package without higher-risk signals.
Risk classifier
green risk · low confidence · appliance
Why
- narrow executable package without higher-risk signals
Signals
- metadata:no-higher-risk-signals
Install behavior
- No Homebrew post-install hook is recorded in formula metadata.
- Homebrew bottle metadata is available for 6 platform targets.
- Installs with 5 runtime dependencies.
- Build metadata lists 2 build dependencies.
建议审查
在无人值守的代理使用前，请检查该工具是否读取明文凭据、写入远程状态、发布制品或调用插件。
可执行文件
已安装的可执行文件
| 命令 | 类型 | 暴露范围 | 备注 |
|---|---|---|---|
gmx | cli | global executable |
新鲜度
版本和新鲜度
这些信号区分页生成时间、软件包管理器活动和上游发布比较。只有存在证据 URL 和可比较版本时，才会提示版本落后。
页面生成时间2026-06-10
管理器版本2026.2
管理器更新时间2026-05-29
本地数据ok
上游not checked
检测到的最新版本not detected
- infoRelease/tag comparison is only available for GitHub repositories.https://www.gromacs.org/none confidence
安装元数据
软件包元数据
| Package key | brew:gromacs |
|---|---|
| Version | 2026.2 |
| Package manager | Homebrew |
| Package manager page | https://formulae.brew.sh/formula/gromacs |
| Homepage | https://www.gromacs.org/ |
| Repository | https://gitlab.com/gromacs/gromacs |
| Upstream docs | https://manual.gromacs.org/ |
| License | LGPL-2.1-or-later |
| Source archive | https://ftp.gromacs.org/pub/gromacs/gromacs-2026.2.tar.gz |
| Last updated | 2026-05-29T18:37:14Z |
| Pulse | updated |
| Dependencies | fftw, libomp, lmfit, muparser, openblas |
| Build dependencies | cmake, pkgconf |
| Bottle | available (arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux) |
| Homebrew post-install | not defined |
| Service | none declared |
| Caveats | GMXRC and other scripts installed to: $HOMEBREW_PREFIX/share/gromacs |
registry facts
Source database details
| Source Database | Homebrew formula API |
|---|---|
| Tap | homebrew/core |
| Full Name | gromacs |
| Version Scheme | 0 |
| Revision | 0 |
| Bottle Stable Root URL | https://ghcr.io/v2/homebrew/core |
| Deprecated | no |
| Disabled | no |
| Keg Only | no |
| URL Keys |
|
source database matches
Other package-manager records
Matches are pulled from external package-manager indexes and kept separate from local Automic Vault package links.
Debian apt95%
gromacs 2025.2-1
Molecular dynamics simulator, with building and analysis tools
sudo apt install gromacs- Section: science
- Architecture: amd64
- 7 dependencies
- 3 optional deps
- normalized package name match
- Matched by: Gromacs
Debian apt95%
gromacs-data 2025.2-1
GROMACS molecular dynamics sim, data and documentation
sudo apt install gromacs-data- Section: science
- Architecture: all
- Source Package: gromacs
- 1 dependencies
- 1 optional deps
- normalized package name match
- Matched by: Gromacs
Debian apt95%
libgromacs-dev 2025.2-1
GROMACS molecular dynamics sim, development kit
sudo apt install libgromacs-dev- Section: libdevel
- Architecture: amd64
- Source Package: gromacs
- 2 dependencies
- 4 optional deps
- normalized package name match
- Matched by: Gromacs
Debian apt95%
libgromacs10 2025.2-1
GROMACS molecular dynamics sim, shared libraries
sudo apt install libgromacs10- Section: libs
- Architecture: amd64
- Source Package: gromacs
- 14 dependencies
- normalized package name match
- Matched by: Gromacs
Debian apt95%
libnblib-gmx-dev 2025.2-1
GROMACS molecular dynamics sim, NB-LIB development kit
sudo apt install libnblib-gmx-dev- Section: libdevel
- Architecture: amd64
- Source Package: gromacs
- 1 dependencies
- 2 optional deps
- normalized package name match
- Matched by: Gromacs
Debian apt95%
libnblib-gmx0 2025.2-1
GROMACS molecular dynamics sim, NB-LIB shared libraries
sudo apt install libnblib-gmx0- Section: libs
- Architecture: amd64
- Source Package: gromacs
- 5 dependencies
- normalized package name match
- Matched by: Gromacs
Nix95%
gromacs
nix profile install nixpkgs#gromacs- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
gromacs 2023.3-1ubuntu3
Molecular dynamics simulator, with building and analysis tools
sudo apt install gromacs- Section: universe/science
- Architecture: amd64
- 7 dependencies
- 3 optional deps
- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
gromacs-data 2023.3-1ubuntu3
GROMACS molecular dynamics sim, data and documentation
sudo apt install gromacs-data- Section: universe/science
- Architecture: all
- Source Package: gromacs
- 1 dependencies
- 1 optional deps
- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
libgromacs-dev 2023.3-1ubuntu3
GROMACS molecular dynamics sim, development kit
sudo apt install libgromacs-dev- Section: universe/libdevel
- Architecture: amd64
- Source Package: gromacs
- 2 dependencies
- 4 optional deps
- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
libgromacs8 2023.3-1ubuntu3
GROMACS molecular dynamics sim, shared libraries
sudo apt install libgromacs8- Section: universe/libs
- Architecture: amd64
- Source Package: gromacs
- 14 dependencies
- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
libnblib-gmx-dev 2023.3-1ubuntu3
GROMACS molecular dynamics sim, NB-LIB development kit
sudo apt install libnblib-gmx-dev- Section: universe/libdevel
- Architecture: amd64
- Source Package: gromacs
- 1 dependencies
- 2 optional deps
- normalized package name match
- Matched by: Gromacs
Ubuntu apt95%
libnblib-gmx0 2023.3-1ubuntu3
GROMACS molecular dynamics sim, NB-LIB shared libraries
sudo apt install libnblib-gmx0- Section: universe/libs
- Architecture: amd64
- Source Package: gromacs
- 5 dependencies
- normalized package name match
- Matched by: Gromacs
dnf95%
gromacs 2026.2-1.fc45
Fast, Free and Flexible Molecular Dynamics
sudo dnf install gromacs- License: LGPL-2.1-or-later
- Category: Unspecified
- Architecture: x86_64
- Source Package: gromacs
- 9 dependencies
- 1 provides
- normalized package name match
- Matched by: Gromacs
dnf95%
gromacs-common 2026.2-1.fc45
GROMACS shared data and documentation
sudo dnf install gromacs-common- License: LGPL-2.1-or-later
- Category: Unspecified
- Architecture: noarch
- Source Package: gromacs
- 2 provides
- normalized package name match
- Matched by: Gromacs
dnf95%
gromacs-devel 2026.2-1.fc45
GROMACS header files and development libraries
sudo dnf install gromacs-devel- License: LGPL-2.1-or-later
- Category: Unspecified
- Architecture: x86_64
- Source Package: gromacs
- 5 dependencies
- 3 provides
- normalized package name match
- Matched by: Gromacs
来源线索
由仓库数据生成
此页面由 av-web 从 scripts/generate-pkg-sqlite.py 生成的私有软件包 SQLite 工件提供。
使用的来源
- Geiger risk classifier
- Nucleus package database
- av.db category and tag curation
- cross-ecosystem install command graph
- external package-manager database matches
- package relationship graph
- package version freshness
- package-page enrichment