# 使用 Homebrew, apt, dnf, Nix, zypper 安装 lammps 查看 lammps 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:lammps ``` 其他安装命令: ### macOS - Homebrew (100%): ```sh brew install lammps ``` 证据: local Homebrew formula metadata ### Linux - Debian apt (92%): ```sh sudo apt install lammps ``` 证据: Debian stable package indexes: lammps from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz - dnf (92%): ```sh sudo dnf install lammps ``` 证据: Fedora Rawhide package metadata: lammps from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/07190dc5ae9f35ae73866675fed6d95fe6e8d9fe22c9d7cdf85862cb2ed24a4c-primary.xml.zst - Nix (92%): ```sh nix profile install nixpkgs#lammps ``` 证据: nixpkgs package indexes: pkgs/by-name/la/lammps/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1 - zypper (92%): ```sh sudo zypper install lammps ``` 证据: openSUSE Tumbleweed package metadata: lammps from https://download.opensuse.org/tumbleweed/repo/oss/repodata/50b07339cb64c8ed4091bdbabddadc1ff5737b090e478818a195b40d8a3292861a879139b4a3987c31109699fde9fbf4a716367ddf4eef77da75f96e3193d6ed-primary.xml.zst ## 软件包事实 - **软件包键:** brew:lammps - **软件包管理器:** Homebrew - **版本:** 20250722-update4 - **来源摘要:** Molecular Dynamics Simulator - **主页:** - **仓库:** - **最后更新:** 2026-06-25T13:37:48+02:00 - **已生成:** 2026-08-03T19:37:03+00:00 ## 可执行文件 - lmp_mpi (别名) - lmp_serial (别名) ## 安装行为 - Bottle: 不可用 ## 版本和新鲜度 - 页面生成时间: 2026-08-03 - 管理器版本: 20250722-update4 ## 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 - - - - - ## 安全说明 narrow executable package without higher-risk signals. - **Geiger 风险:** 绿色 / 低 - narrow executable package without higher-risk signals ## 其他软件包管理器记录 - Debian apt - lammps - 20250204+dfsg.1-2: normalized package name match | Debian stable package indexes: lammps from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Molecular Dynamics Simulator | https://lammps.sandia.gov/ - Debian apt - lammps-data - 20250204+dfsg.1-2: normalized package name match | Debian stable package indexes: lammps-data from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Molecular Dynamics Simulator. | https://lammps.sandia.gov/ - Debian apt - lammps-doc - 20250204+dfsg.1-2: normalized package name match | Debian stable package indexes: lammps-doc from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Molecular Dynamics Simulator (documentation) | https://lammps.sandia.gov/ - Debian apt - lammps-examples - 20250204+dfsg.1-2: normalized package name match | Debian stable package indexes: lammps-examples from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Molecular Dynamics Simulator (examples) | https://lammps.sandia.gov/ - Debian apt - liblammps-dev - 20250204+dfsg.1-2: normalized package name match | Debian stable package indexes: liblammps-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Molecular Dynamics Simulator (dev files) | https://lammps.sandia.gov/ - Debian apt - liblammps0t64 - 20250204+dfsg.1-2: normalized package name match | Debian stable package indexes: liblammps0t64 from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Molecular Dynamics Simulator (shared library) | https://lammps.sandia.gov/ - Debian apt - python3-lammps - 20250204+dfsg.1-2: normalized package name match | Debian stable package indexes: python3-lammps from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Molecular Dynamics Simulator | https://lammps.sandia.gov/ - Nix - lammps: normalized package name match | nixpkgs package indexes: pkgs/by-name/la/lammps/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1 - Ubuntu apt - lammps - 20240207+dfsg-1.1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: lammps from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Molecular Dynamics Simulator | https://lammps.sandia.gov/ - Ubuntu apt - lammps-data - 20240207+dfsg-1.1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: lammps-data from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Molecular Dynamics Simulator. | https://lammps.sandia.gov/ - Ubuntu apt - lammps-doc - 20240207+dfsg-1.1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: lammps-doc from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Molecular Dynamics Simulator (documentation) | https://lammps.sandia.gov/ - Ubuntu apt - lammps-examples - 20240207+dfsg-1.1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: lammps-examples from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Molecular Dynamics Simulator (examples) | https://lammps.sandia.gov/ - Ubuntu apt - liblammps-dev - 20240207+dfsg-1.1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: liblammps-dev from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Molecular Dynamics Simulator (dev files) | https://lammps.sandia.gov/ - Ubuntu apt - liblammps0t64 - 20240207+dfsg-1.1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: liblammps0t64 from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Molecular Dynamics Simulator (shared library) | https://lammps.sandia.gov/ - Ubuntu apt - python3-lammps - 20240207+dfsg-1.1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: python3-lammps from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Molecular Dynamics Simulator | https://lammps.sandia.gov/ - dnf - lammps - 20260704-4.fc45: normalized package name match | Fedora Rawhide package metadata: lammps from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/07190dc5ae9f35ae73866675fed6d95fe6e8d9fe22c9d7cdf85862cb2ed24a4c-primary.xml.zst | Molecular Dynamics Simulator | https://www.lammps.org/ ## Combined YAML source View the package source record on GitHub. [combined/lammps.yml](https://github.com/mxcl/pkgdb/blob/main/combined/lammps.yml) ## 来源 - pkg.so package database - Geiger risk classifier - curated package history - pkgdb category and tag curation - external package-manager database matches - cross-ecosystem install command graph