# Install lammps with Homebrew, apt, dnf, Nix, zypper Molecular Dynamics Simulator. Version 20250722-update4 via Homebrew; verified 2026-06-25. ## Install ```sh sudo av install brew:lammps ``` Additional install commands: ### macOS - Homebrew (100%): ```sh brew install lammps ``` Evidence: local Homebrew formula metadata ### Linux - Debian apt (92%): ```sh sudo apt install lammps ``` Evidence: 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 ``` Evidence: Fedora Rawhide package metadata: lammps from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst - Nix (92%): ```sh nix profile install nixpkgs#lammps ``` Evidence: 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 ``` Evidence: openSUSE Tumbleweed package metadata: lammps from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst ## Package facts - **Package key:** brew:lammps - **Package manager:** Homebrew - **Package manager page:** - **Version:** 20250722-update4 - **Source summary:** Molecular Dynamics Simulator - **Homepage:** - **Repository:** - **Upstream docs:** - **License:** GPL-2.0-only - **Source archive:** - **Last updated:** 2026-06-25T13:37:48+02:00 - **Generated:** 2026-07-08T18:08:21+00:00 ## Executables - lmp_mpi (cli) - lmp_serial (cli) - lmp_mpi (alias) - lmp_serial (alias) ## Dependencies - fftw - jpeg-turbo - kim-api - libomp - libpng - open-mpi ## Build dependencies - cmake - pkgconf - voro++ ## Uses from macOS - curl - python ## 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: 2026-07-08 - Package-manager version: 20250722-update4 - Package-manager updated: 2026-06-25 - Local data: ok - Upstream repository: https://github.com/lammps/lammps - info: No cached GitHub release or tag data was available. ## Project history and usage 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. ### Project history 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. ### Adoption history 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. ### How it is used 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. ### Why package nerds care 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. ### Timeline - 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. ### Sources - - - - - ## Security Notes 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:** lammps - **Version Scheme:** 0 - **Revision:** 0 - **Bottle Stable Root URL:** - **Deprecated:** no - **Disabled:** no - **Keg Only:** no - **URL Keys:** stable ## Other Package-Manager Records - 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 - 20260330-2.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/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst | Molecular Dynamics Simulator | https://www.lammps.org/ ## Related links - [Terminal utility packages](https://www.automicvault.com/pkg/terminal-utilities/) - Matched terminal and command-line workflow metadata. - [Networking and protocol packages](https://www.automicvault.com/pkg/networking-protocol-tools/) - Matched network, protocol, or remote-service metadata. - [Scientific computing packages](https://www.automicvault.com/pkg/scientific-computing-tools/) - Matched scientific computing metadata. - [Documentation packages](https://www.automicvault.com/pkg/documentation-tools/) - Matched documentation, manual, or publishing metadata. - [fftw](https://www.automicvault.com/pkg/brew/fftw/) - Runtime dependency declared by Homebrew. - [jpeg-turbo](https://www.automicvault.com/pkg/brew/jpeg-turbo/) - Runtime dependency declared by Homebrew. - [kim-api](https://www.automicvault.com/pkg/brew/kim-api/) - Runtime dependency declared by Homebrew. - [libpng](https://www.automicvault.com/pkg/brew/libpng/) - Runtime dependency declared by Homebrew. - [open-mpi](https://www.automicvault.com/pkg/brew/open-mpi/) - Runtime dependency declared by Homebrew. - [cmake](https://www.automicvault.com/pkg/brew/cmake/) - Build dependency declared by Homebrew. - [pkgconf](https://www.automicvault.com/pkg/brew/pkgconf/) - Build dependency declared by Homebrew. - [voro++](https://www.automicvault.com/pkg/brew/voro/) - Build dependency declared by Homebrew. - [damask-grid](https://www.automicvault.com/pkg/brew/damask-grid/) - Shares av.db curated category or tags: cli, materials-science, science, simulation. - [simgrid](https://www.automicvault.com/pkg/brew/simgrid/) - Shares av.db curated category or tags: cli, mpi, science, simulation. - [nest](https://www.automicvault.com/pkg/brew/nest/) - Shares av.db curated category or tags: cli, science, simulation. - [ode](https://www.automicvault.com/pkg/brew/ode/) - Shares av.db curated category or tags: cli, science, simulation. - [precice](https://www.automicvault.com/pkg/brew/precice/) - Shares av.db curated category or tags: cli, science, simulation. - [shamrock](https://www.automicvault.com/pkg/brew/shamrock/) - Shares av.db curated category or tags: cli, science, simulation. - [cp2k](https://www.automicvault.com/pkg/brew/cp2k/) - Shares av.db curated category or tags: cli, molecular-dynamics, science, simulation. - [packmol](https://www.automicvault.com/pkg/brew/packmol/) - Shares av.db curated category or tags: cli, molecular-dynamics, science, simulation. ## Combined YAML source View the package source record on GitHub. [combined/lammps.yml](https://github.com/automic-vault/db/blob/main/combined/lammps.yml) ## Sources - Nucleus package database - Geiger risk classifier - package-page enrichment - curated package history - package version freshness - av.db category and tag curation - package relationship graph - external package-manager database matches - cross-ecosystem install command graph