Automic VaultAutomic Vault

brew / Rang 4848

cp2k installieren

Prüfe Installationswege, Executables, Metadaten und Sicherheitshinweise für cp2k in AI-Agent-Workflows.

InstallationsbefehlSicherheitshinweise

Installation

Mit Automic Vault installieren

Automic Vault
AV herunterladen
sudo av install brew:cp2k

macOS

Homebrewverified · 100%
brew install cp2k

local Homebrew formula metadata

Linux

Debian aptverified · 92%
sudo apt install cp2k

Debian stable package indexes · cp2k · source: deb.debian.org

Fedora dnfverified · 92%
sudo dnf install cp2k

Fedora Rawhide package metadata · cp2k · source: dl.fedoraproject.org

Nixverified · 92%
nix profile install nixpkgs#cp2k

nixpkgs package indexes · pkgs/by-name/cp/cp2k/package.nix · source: api.github.com

Plattformhinweise

  • Es waren keine paketspezifischen Plattformhinweise vorhanden.

Überblick

Paketzusammenfassung

Quantum chemistry and solid state physics software package

Befehle und Aliase

  • cp2k.psmp
  • dbm_miniapp.psmp
  • dbt_tas_unittest.psmp
  • dbt_unittest.psmp
  • dumpdcd.psmp
  • gemm_square_unittest.psmp
  • graph.psmp
  • grid_miniapp.psmp
  • grid_unittest.psmp
  • gx_ac_unittest.psmp
  • libcp2k_unittest.psmp
  • memory_utilities_unittest.psmp
  • nequip_unittest.psmp
  • parallel_rng_types_unittest.psmp
  • xyz2dcd.psmp

Sicherheitslage

Risikostufe: 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 9 runtime dependencies.
  • Build metadata lists 3 build dependencies.

Empfohlene Prüfung

Prüfe vor unbeaufsichtigter Agent-Nutzung, ob das Tool Klartext-Credentials liest, Remote-Zustand schreibt, Artefakte veröffentlicht oder Plugins ausführt.

Executables

Installierte Executables

BefehlArtSichtbarkeitHinweis
cp2k.psmpcliglobal executable
dbm_miniapp.psmpcliglobal executable
dbt_tas_unittest.psmpcliglobal executable
dbt_unittest.psmpcliglobal executable
dumpdcd.psmpcliglobal executable
gemm_square_unittest.psmpcliglobal executable
graph.psmpcliglobal executable
grid_miniapp.psmpcliglobal executable
grid_unittest.psmpcliglobal executable
gx_ac_unittest.psmpcliglobal executable
libcp2k_unittest.psmpcliglobal executable
memory_utilities_unittest.psmpcliglobal executable
nequip_unittest.psmpcliglobal executable
parallel_rng_types_unittest.psmpcliglobal executable
xyz2dcd.psmpcliglobal executable

Aktualität

Version und Aktualität

Diese Signale trennen das Alter der Seitengenerierung, Aktivität des Paketmanagers und Upstream-Release-Vergleich. Versionsrückstand wird nur gemeldet, wenn eine Evidenz-URL und vergleichbare Versionen vorhanden sind.

Seite generiert2026-06-10
Manager-Version2026.1
Manager aktualisiert
lokale Datenok
Upstreamnot checked
neueste erkannte Versionnot detected

https://github.com/cp2k/cp2k

  • infoNo package-manager update timestamp was available.low confidence
  • infoNo cached GitHub release or tag data was available.https://github.com/cp2k/cp2knone confidence

Installationsmetadaten

Paketmetadaten

Package keybrew:cp2k
Version2026.1
Package managerHomebrew
Package manager pagehttps://formulae.brew.sh/formula/cp2k
Homepagehttps://www.cp2k.org/
Repositoryhttps://github.com/cp2k/cp2k
Upstream docshttps://manual.cp2k.org/
LicenseGPL-2.0-or-later
Source archivehttps://github.com/cp2k/cp2k/releases/download/v2026.1/cp2k-2026.1.tar.bz2
Dependenciesdbcsr, fftw, gcc, libint, libomp, libxc, open-mpi, openblas, scalapack
Build dependenciescmake, fypp, pkgconf
Bottleavailable (arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux)
Homebrew post-installnot defined
Servicenone declared

registry facts

Source database details

Source DatabaseHomebrew formula API
Taphomebrew/core
Full Namecp2k
Version Scheme0
Revision1
Bottle Stable Root URLhttps://ghcr.io/v2/homebrew/core
Deprecatedno
Disabledno
Keg Onlyno
URL Keys
  • stable

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%

cp2k 2025.1-1.1

Ab Initio Molecular Dynamics

http://www.cp2k.org

sudo apt install cp2k
  • Section: science
  • Architecture: amd64
  • 16 dependencies
  • normalized package name match
  • Matched by: Cp2k
Debian stable package indexes · deb.debian.org · Debian stable package indexes: cp2k from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Debian apt95%

cp2k-data 2025.1-1.1

Ab Initio Molecular Dynamics (data files)

http://www.cp2k.org

sudo apt install cp2k-data
  • Section: science
  • Architecture: all
  • Source Package: cp2k
  • normalized package name match
  • Matched by: Cp2k
Debian stable package indexes · deb.debian.org · Debian stable package indexes: cp2k-data from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Nix95%

cp2k

nix profile install nixpkgs#cp2k
  • normalized package name match
  • Matched by: Cp2k
nixpkgs package indexes · api.github.com · nixpkgs package indexes: pkgs/by-name/cp/cp2k/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1
dnf95%

cp2k 2025.1-5.fc44

Ab Initio Molecular Dynamics

https://www.cp2k.org/

sudo dnf install cp2k
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: cp2k
  • 18 dependencies
  • 2 provides
  • normalized package name match
  • Matched by: Cp2k
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: cp2k from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

cp2k-common 2025.1-5.fc44

Molecular simulations software - common files

https://www.cp2k.org/

sudo dnf install cp2k-common
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: noarch
  • Source Package: cp2k
  • 1 provides
  • normalized package name match
  • Matched by: Cp2k
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: cp2k-common from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

cp2k-devel 2025.1-5.fc44

Development files for cp2k

https://www.cp2k.org/

sudo dnf install cp2k-devel
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: cp2k
  • 3 dependencies
  • 3 provides
  • normalized package name match
  • Matched by: Cp2k
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: cp2k-devel from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

cp2k-mpich 2025.1-5.fc44

Molecular simulations software - mpich version

https://www.cp2k.org/

sudo dnf install cp2k-mpich
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: cp2k
  • 21 dependencies
  • 2 provides
  • normalized package name match
  • Matched by: Cp2k
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: cp2k-mpich from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

cp2k-mpich-devel 2025.1-5.fc44

Development files for cp2k

https://www.cp2k.org/

sudo dnf install cp2k-mpich-devel
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: cp2k
  • 1 dependencies
  • 1 provides
  • normalized package name match
  • Matched by: Cp2k
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: cp2k-mpich-devel from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

cp2k-openmpi 2025.1-5.fc44

Molecular simulations software - openmpi version

https://www.cp2k.org/

sudo dnf install cp2k-openmpi
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: cp2k
  • 23 dependencies
  • 2 provides
  • normalized package name match
  • Matched by: Cp2k
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: cp2k-openmpi from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

cp2k-openmpi-devel 2025.1-5.fc44

Development files for cp2k

https://www.cp2k.org/

sudo dnf install cp2k-openmpi-devel
  • License: GPL-2.0-or-later
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: cp2k
  • 1 dependencies
  • 1 provides
  • normalized package name match
  • Matched by: Cp2k
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: cp2k-openmpi-devel from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst

Paketgraph

Links stammen aus dem lokalen Paketbeziehungsgraph, Ergänzungen, Abhängigkeitskanten, Ecosystem-Matches und Paket-Hub-Mitgliedschaft.

Verwandte Tools

  • gccRuntime dependency declared by Homebrew.
  • open-mpiRuntime dependency declared by Homebrew.
  • fftwRuntime dependency declared by Homebrew.
  • libxcRuntime dependency declared by Homebrew.
  • pkgconfBuild dependency declared by Homebrew.
  • cmakeBuild dependency declared by Homebrew.
  • fyppBuild dependency declared by Homebrew.

Gleicher Workflow

  • gromacsShares av.db curated category or tags: cli, computational-chemistry, hpc, molecular-dynamics, molecular-simulation.
  • nwchemShares av.db curated category or tags: cli, computational-chemistry, hpc, molecular-simulation, quantum-chemistry.
  • votcaShares av.db curated category or tags: cli, computational-chemistry, molecular-simulation, science.
  • lammpsShares av.db curated category or tags: cli, molecular-dynamics, science, simulation.
  • kim-apiShares av.db curated category or tags: cli, molecular-simulation, science.
  • packmolShares av.db curated category or tags: cli, molecular-dynamics, science, simulation.

Quellspur

Aus Repository-Daten generiert

Diese Seite wird von av-web aus dem privaten Paket-SQLite-Artefakt bereitgestellt, das scripts/generate-pkg-sqlite.py erstellt.

Verwendete Quellen

  • Geiger risk classifier
  • Nucleus package database
  • av.db category and tag curation
  • cross-ecosystem install command graph
  • external package-manager database matches
  • package relationship graph
  • package version freshness
  • package-page enrichment