macOS
brew install cp2klocal Homebrew formula metadata
brew / rang 4848
Consultez les chemins d'installation, exécutables, métadonnées et notes de sécurité de cp2k pour les workflows d'agents IA.
installation
sudo av install brew:cp2kbrew install cp2klocal Homebrew formula metadata
sudo apt install cp2kDebian stable package indexes · cp2k · source: deb.debian.org
sudo dnf install cp2kFedora Rawhide package metadata · cp2k · source: dl.fedoraproject.org
nix profile install nixpkgs#cp2knixpkgs package indexes · pkgs/by-name/cp/cp2k/package.nix · source: api.github.com
aperçu
Quantum chemistry and solid state physics software package
posture de sécurité
narrow executable package without higher-risk signals.
green risk · low confidence · appliance
Avant une utilisation sans surveillance par un agent, vérifiez si l'outil lit des identifiants en clair, écrit un état distant, publie des artefacts ou lance des plugins.
exécutables
| Commande | Type | Exposition | Note |
|---|---|---|---|
cp2k.psmp | cli | global executable | |
dbm_miniapp.psmp | cli | global executable | |
dbt_tas_unittest.psmp | cli | global executable | |
dbt_unittest.psmp | cli | global executable | |
dumpdcd.psmp | cli | global executable | |
gemm_square_unittest.psmp | cli | global executable | |
graph.psmp | cli | global executable | |
grid_miniapp.psmp | cli | global executable | |
grid_unittest.psmp | cli | global executable | |
gx_ac_unittest.psmp | cli | global executable | |
libcp2k_unittest.psmp | cli | global executable | |
memory_utilities_unittest.psmp | cli | global executable | |
nequip_unittest.psmp | cli | global executable | |
parallel_rng_types_unittest.psmp | cli | global executable | |
xyz2dcd.psmp | cli | global executable |
fraîcheur
Ces signaux séparent l'âge de génération de la page, l'activité du gestionnaire de paquets et la comparaison avec les versions amont. Un retard de version n'est signalé que lorsqu'une URL de preuve et des versions comparables sont présentes.
métadonnées d'installation
| Package key | brew:cp2k |
|---|---|
| Version | 2026.1 |
| Package manager | Homebrew |
| Package manager page | https://formulae.brew.sh/formula/cp2k |
| Homepage | https://www.cp2k.org/ |
| Repository | https://github.com/cp2k/cp2k |
| Upstream docs | https://manual.cp2k.org/ |
| License | GPL-2.0-or-later |
| Source archive | https://github.com/cp2k/cp2k/releases/download/v2026.1/cp2k-2026.1.tar.bz2 |
| Dependencies | dbcsr, fftw, gcc, libint, libomp, libxc, open-mpi, openblas, scalapack |
| Build dependencies | cmake, fypp, pkgconf |
| Bottle | available (arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux) |
| Homebrew post-install | not defined |
| Service | none declared |
registry facts
| Source Database | Homebrew formula API |
|---|---|
| Tap | homebrew/core |
| Full Name | cp2k |
| Version Scheme | 0 |
| Revision | 1 |
| Bottle Stable Root URL | https://ghcr.io/v2/homebrew/core |
| Deprecated | no |
| Disabled | no |
| Keg Only | no |
| URL Keys |
|
source database matches
Matches are pulled from external package-manager indexes and kept separate from local Automic Vault package links.
cp2k 2025.1-1.1
Ab Initio Molecular Dynamics
sudo apt install cp2kcp2k-data 2025.1-1.1
Ab Initio Molecular Dynamics (data files)
sudo apt install cp2k-datacp2k
nix profile install nixpkgs#cp2kcp2k 2025.1-5.fc44
Ab Initio Molecular Dynamics
sudo dnf install cp2kcp2k-common 2025.1-5.fc44
Molecular simulations software - common files
sudo dnf install cp2k-commoncp2k-devel 2025.1-5.fc44
Development files for cp2k
sudo dnf install cp2k-develcp2k-mpich 2025.1-5.fc44
Molecular simulations software - mpich version
sudo dnf install cp2k-mpichcp2k-mpich-devel 2025.1-5.fc44
Development files for cp2k
sudo dnf install cp2k-mpich-develcp2k-openmpi 2025.1-5.fc44
Molecular simulations software - openmpi version
sudo dnf install cp2k-openmpicp2k-openmpi-devel 2025.1-5.fc44
Development files for cp2k
sudo dnf install cp2k-openmpi-develpiste source
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