macOS
Homebrew已验证 · 100%
brew install lammpslocal Homebrew formula metadata
安装
其他安装命令
Linux
Debian apt已验证 · 92%
sudo apt install lammpsDebian stable package indexes · lammps · 来源: deb.debian.org
Fedora dnf已验证 · 92%
sudo dnf install lammpsFedora Rawhide package metadata · lammps · 来源: dl.fedoraproject.org
Nix已验证 · 92%
nix profile install nixpkgs#lammpsnixpkgs package indexes · pkgs/by-name/la/lammps/package.nix · 来源: api.github.com
openSUSE zypper已验证 · 92%
sudo zypper install lammpsopenSUSE Tumbleweed package metadata · lammps · 来源: download.opensuse.org
概览
软件包摘要
Molecular Dynamics Simulator
历史
项目历史与用法
LAMMPS, the Large-scale Atomic/Molecular Massively Parallel Simulator, is a major open-source molecular dynamics code from Sandia National Laboratories. It is important both as scientific software and as a long-running packaging challenge because it spans MPI, optional accelerator packages, many force-field styles, library interfaces, Python integration, and large documentation.
项目历史
The official LAMMPS history says development began in the mid-1990s under a cooperative research and development agreement between Sandia, LLNL, Cray, Bristol Myers Squibb, and DuPont, led by Steve Plimpton at Sandia, to build a large-scale parallel classical molecular dynamics code. The early Fortran line produced LAMMPS 99 and LAMMPS 2001.
The C++ rewrite was publicly released as open-source code in September 2004 and incorporated ideas or code from earlier Sandia parallel molecular dynamics codes such as ParaDyn, Warp, and GranFlow. In late 2006, capabilities from Aidan Thompson's GRASP code began being merged, including many-body potentials and ReaxFF-related charge-equilibration routines.
The LAMMPS manual describes the project as a GPLv2 classical molecular dynamics simulator focused on materials modeling, designed to run efficiently on parallel computers and to be easy to extend. It also notes that development is coordinated on GitHub and that contributions now come from many research groups and institutions.
采用历史
LAMMPS became a standard tool in computational materials science because it scales from single processors to parallel message-passing runs and covers solid-state materials, soft matter, coarse-grained systems, and particle simulations at atomic, mesoscopic, or continuum scales. The official history page tracks years of stable releases and feature additions, while the manual's command reference and programmer guide show the breadth expected by research users and package maintainers.
使用方式
Users run LAMMPS with input scripts that define units, atom styles, force fields, fixes, computes, dumps, and run controls. Packagers commonly expose serial and MPI executables and must decide which optional packages, acceleration backends, and libraries to enable.
为什么软件包爱好者会关心
LAMMPS is a heavyweight science package in the best sense: it is open, heavily cited, parallel, extensible, and full of optional compile-time surfaces. It is the kind of package where build flags and dependency choices materially change what researchers can simulate.
时间线
- Mid-1990s: LAMMPS development began under a CRADA involving Sandia, LLNL, Cray, Bristol Myers Squibb, and DuPont.
- 1999: Final Fortran 77 version LAMMPS 99 was released.
- 2001: Final Fortran 90 version LAMMPS 2001 was released.
- 2004-09: The C++ rewrite was publicly released as open-source code.
- 2006: GRASP-derived capabilities began merging into LAMMPS.
- 2020-03-19: LAMMPS began requiring a compiler at least compatible with C++11.
Related projects
- Related Sandia and molecular dynamics projects include ParaDyn, Warp, GranFlow, GRASP, DYNAMO, ReaxFF, Kokkos-enabled accelerator work, and the broader MPI-based scientific computing stack.
来源
安全态势
风险级别：绿色
narrow executable package without higher-risk signals.
风险分类器
绿色 风险 · 低 置信度 · appliance
原因
- narrow executable package without higher-risk signals
信号
- metadata:no-higher-risk-signals
安装行为
- formula 元数据中未记录 Homebrew post-install 钩子。
- Homebrew bottle 元数据适用于 6 个平台目标。
- 安装时包含 6 个运行时依赖。
- 构建元数据列出 3 个构建依赖。
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 |
|---|---|---|---|
lmp_mpi | cli | 全局可执行文件 | |
lmp_serial | cli | 全局可执行文件 |
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2026-07-10
管理器版本20250722-update4
管理器更新时间2026-06-25
本地数据OK
上游not checked
检测到的最新版本未检测到
https://github.com/lammps/lammps
- 信息No cached GitHub release or tag data was available.https://github.com/lammps/lammpsnone 置信度
安装元数据
软件包元数据
| 软件包键 | brew:lammps |
|---|---|
| 版本 | 20250722-update4 |
| 软件包管理器 | Homebrew |
| 软件包管理器页面 | https://formulae.brew.sh/formula/lammps |
| 主页 | https://docs.lammps.org/ |
| 仓库 | https://github.com/lammps/lammps |
| 上游文档 | https://docs.lammps.org/ |
| 许可证 | GPL-2.0-only |
| 源码归档 | https://github.com/lammps/lammps/archive/refs/tags/stable_22Jul2025_update4.tar.gz |
| 最后更新 | 2026-06-25T13:37:48+02:00 |
| Pulse | updated |
| 依赖 | fftw, jpeg-turbo, kim-api, libomp, libpng, open-mpi |
| 构建依赖 | cmake, pkgconf, voro++ |
| macOS 提供的库 | curl, python |
| Bottle | 可用 (于 arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux) |
| Homebrew post-install | 未定义 |
| 服务 | 未声明 |
注册表事实
源数据库详情
| Source Database | Homebrew formula API |
|---|---|
| Tap | homebrew/core |
| Full Name | lammps |
| Version Scheme | 0 |
| Revision | 0 |
| Bottle Stable Root URL | https://ghcr.io/v2/homebrew/core |
| Deprecated | no |
| Disabled | no |
| Keg Only | no |
| URL Keys |
|
源数据库匹配
其他软件包管理器记录
匹配项来自外部软件包管理器索引，并与本地 Automic Vault 软件包链接分开显示。
Debian apt95%
lammps 20250204+dfsg.1-2
Molecular Dynamics Simulator
sudo apt install lammps- Section: science
- Architecture: amd64
- 7 依赖
- 3 可选依赖
- normalized package name match
- 匹配方式：Lammps
Debian apt95%
lammps-data 20250204+dfsg.1-2
Molecular Dynamics Simulator.
sudo apt install lammps-data- Section: doc
- Architecture: all
- Source Package: lammps
- normalized package name match
- 匹配方式：Lammps
Debian apt95%
lammps-doc 20250204+dfsg.1-2
Molecular Dynamics Simulator (documentation)
sudo apt install lammps-doc- Section: doc
- Architecture: all
- Source Package: lammps
- 3 依赖
- 1 可选依赖
- normalized package name match
- 匹配方式：Lammps
Debian apt95%
lammps-examples 20250204+dfsg.1-2
Molecular Dynamics Simulator (examples)
sudo apt install lammps-examples- Section: doc
- Architecture: all
- Source Package: lammps
- 1 可选依赖
- normalized package name match
- 匹配方式：Lammps
Debian apt95%
liblammps-dev 20250204+dfsg.1-2
Molecular Dynamics Simulator (dev files)
sudo apt install liblammps-dev- Section: science
- Architecture: amd64
- Source Package: lammps
- 2 依赖
- 1 可选依赖
- normalized package name match
- 匹配方式：Lammps
Debian apt95%
liblammps0t64 20250204+dfsg.1-2
Molecular Dynamics Simulator (shared library)
sudo apt install liblammps0t64- Section: science
- Architecture: amd64
- Source Package: lammps
- 22 依赖
- 1 提供
- normalized package name match
- 匹配方式：Lammps
Debian apt95%
python3-lammps 20250204+dfsg.1-2
Molecular Dynamics Simulator
sudo apt install python3-lammps- Section: python
- Architecture: amd64
- Source Package: lammps
- 3 依赖
- 2 可选依赖
- normalized package name match
- 匹配方式：Lammps
Nix95%
lammps
nix profile install nixpkgs#lammps- normalized package name match
- 匹配方式：Lammps
Ubuntu apt95%
lammps 20240207+dfsg-1.1build3
Molecular Dynamics Simulator
sudo apt install lammps- Section: universe/science
- Architecture: amd64
- 7 依赖
- 3 可选依赖
- normalized package name match
- 匹配方式：Lammps
Ubuntu apt95%
lammps-data 20240207+dfsg-1.1build3
Molecular Dynamics Simulator.
sudo apt install lammps-data- Section: universe/doc
- Architecture: all
- Source Package: lammps
- normalized package name match
- 匹配方式：Lammps
Ubuntu apt95%
lammps-doc 20240207+dfsg-1.1build3
Molecular Dynamics Simulator (documentation)
sudo apt install lammps-doc- Section: universe/doc
- Architecture: all
- Source Package: lammps
- 3 依赖
- 1 可选依赖
- normalized package name match
- 匹配方式：Lammps
Ubuntu apt95%
lammps-examples 20240207+dfsg-1.1build3
Molecular Dynamics Simulator (examples)
sudo apt install lammps-examples- Section: universe/doc
- Architecture: all
- Source Package: lammps
- 1 可选依赖
- normalized package name match
- 匹配方式：Lammps
Ubuntu apt95%
liblammps-dev 20240207+dfsg-1.1build3
Molecular Dynamics Simulator (dev files)
sudo apt install liblammps-dev- Section: universe/science
- Architecture: amd64
- Source Package: lammps
- 2 依赖
- 1 可选依赖
- normalized package name match
- 匹配方式：Lammps
Ubuntu apt95%
liblammps0t64 20240207+dfsg-1.1build3
Molecular Dynamics Simulator (shared library)
sudo apt install liblammps0t64- Section: universe/science
- Architecture: amd64
- Source Package: lammps
- 22 依赖
- 1 提供
- normalized package name match
- 匹配方式：Lammps
Ubuntu apt95%
python3-lammps 20240207+dfsg-1.1build3
Molecular Dynamics Simulator
sudo apt install python3-lammps- Section: universe/python
- Architecture: amd64
- Source Package: lammps
- 3 依赖
- 2 可选依赖
- normalized package name match
- 匹配方式：Lammps
dnf95%
lammps 20260330-2.fc45
Molecular Dynamics Simulator
sudo dnf install lammps- License: GPL-2.0-only
- Category: Unspecified
- Architecture: x86_64
- Source Package: lammps
- 19 依赖
- 2 提供
- normalized package name match
- 匹配方式：Lammps
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。
Combined YAML source
View the package source record on GitHub.
使用的来源
- Geiger risk classifier
- Nucleus package database
- av.db category and tag curation
- cross-ecosystem install command graph
- curated package history
- external package-manager database matches
- package relationship graph
- package version freshness
- package-page enrichment