macOS
Homebrewverified · 100%
brew install lammpslocal Homebrew formula metadata
brew
Install lammps with Homebrew, apt, dnf, Nix, zypper
Molecular Dynamics Simulator. Version 20250722-update4 via Homebrew; verified 2026-06-25.
install
Additional install commands
Linux
Debian aptverified · 92%
sudo apt install lammpsDebian stable package indexes · lammps · source: deb.debian.org
Fedora dnfverified · 92%
sudo dnf install lammpsFedora Rawhide package metadata · lammps · source: dl.fedoraproject.org
Nixverified · 92%
nix profile install nixpkgs#lammpsnixpkgs package indexes · pkgs/by-name/la/lammps/package.nix · source: api.github.com
openSUSE zypperverified · 92%
sudo zypper install lammpsopenSUSE Tumbleweed package metadata · lammps · source: download.opensuse.org
overview
Package summary
Molecular Dynamics Simulator
Project links
Commands and aliases
- lmp_mpi
- lmp_serial
history
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 posture
Risk level: 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 6 runtime dependencies.
- Build metadata lists 3 build dependencies.
Recommended review
Before unattended agent use, check whether the tool reads plaintext credentials, writes remote state, publishes artifacts, or shells out to plugins.
executables
Installed executables
| Command | Kind | Exposure | Note |
|---|---|---|---|
lmp_mpi | cli | global executable | |
lmp_serial | cli | global executable |
freshness
Version and freshness
These signals separate page generation age, package-manager activity, and upstream release comparison. Version lag is warned only when an evidence URL and comparable versions are present.
page generated2026-07-08
manager version20250722-update4
manager updated2026-06-25
local dataok
upstreamnot checked
latest detectednot detected
https://github.com/lammps/lammps
- infoNo cached GitHub release or tag data was available.https://github.com/lammps/lammpsnone confidence
install metadata
Package metadata
| Package key | brew:lammps |
|---|---|
| Version | 20250722-update4 |
| Package manager | Homebrew |
| Package manager page | https://formulae.brew.sh/formula/lammps |
| Homepage | https://docs.lammps.org/ |
| Repository | https://github.com/lammps/lammps |
| Upstream docs | https://docs.lammps.org/ |
| License | GPL-2.0-only |
| Source archive | https://github.com/lammps/lammps/archive/refs/tags/stable_22Jul2025_update4.tar.gz |
| Last updated | 2026-06-25T13:37:48+02:00 |
| Pulse | updated |
| Dependencies | fftw, jpeg-turbo, kim-api, libomp, libpng, open-mpi |
| Build dependencies | cmake, pkgconf, voro++ |
| Uses from macOS | curl, python |
| Bottle | available (on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux) |
| Homebrew post-install | not defined |
| Service | none declared |
registry facts
Source database details
| 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 |
|
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%
lammps 20250204+dfsg.1-2
Molecular Dynamics Simulator
sudo apt install lammps- Section: science
- Architecture: amd64
- 7 dependencies
- 3 optional deps
- normalized package name match
- Matched by: 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
- Matched by: 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 dependencies
- 1 optional deps
- normalized package name match
- Matched by: 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 optional deps
- normalized package name match
- Matched by: 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 dependencies
- 1 optional deps
- normalized package name match
- Matched by: 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 dependencies
- 1 provides
- normalized package name match
- Matched by: 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 dependencies
- 2 optional deps
- normalized package name match
- Matched by: Lammps
Nix95%
lammps
nix profile install nixpkgs#lammps- normalized package name match
- Matched by: Lammps
Ubuntu apt95%
lammps 20240207+dfsg-1.1build3
Molecular Dynamics Simulator
sudo apt install lammps- Section: universe/science
- Architecture: amd64
- 7 dependencies
- 3 optional deps
- normalized package name match
- Matched by: 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
- Matched by: 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 dependencies
- 1 optional deps
- normalized package name match
- Matched by: 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 optional deps
- normalized package name match
- Matched by: 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 dependencies
- 1 optional deps
- normalized package name match
- Matched by: 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 dependencies
- 1 provides
- normalized package name match
- Matched by: 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 dependencies
- 2 optional deps
- normalized package name match
- Matched by: 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 dependencies
- 2 provides
- normalized package name match
- Matched by: Lammps
source trail
Generated from repository data
This page is generated by av-web from the private package SQLite artifact built by scripts/generate-pkg-sqlite.py.
Combined YAML source
View the package source record on GitHub.
Used sources
- 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