安装

使用 Automic Vault 安装

Automic Vault

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

软件包管理器来源

https://formulae.brew.sh/formula/cp2k

平台说明

没有特定于此软件包的平台说明。

概览

软件包摘要

Quantum chemistry and solid state physics software package

主页

https://www.cp2k.org/

命令和别名

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

安全态势

风险级别：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.

建议审查

在无人值守的代理使用前，请检查该工具是否读取明文凭据、写入远程状态、发布制品或调用插件。

可执行文件

已安装的可执行文件

命令	类型	暴露范围
`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

新鲜度

版本和新鲜度

这些信号区分页生成时间、软件包管理器活动和上游发布比较。只有存在证据 URL 和可比较版本时，才会提示版本落后。

页面生成时间2026-06-10

管理器版本2026.1

管理器更新时间

本地数据ok

上游not checked

检测到的最新版本not 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

安装元数据

软件包元数据

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 details

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	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

软件包图谱

链接来自本地软件包关系图、补充数据、依赖边、生态匹配和软件包 hub 归属。

来源线索

由仓库数据生成

此页面由 av-web 从 scripts/generate-pkg-sqlite.py 生成的私有软件包 SQLite 工件提供。

使用的来源

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

安装 cp2k

使用 Automic Vault 安装

macOS

Linux

软件包管理器来源

平台说明

软件包摘要

主页

命令和别名

风险级别：green

Risk classifier

Why

Signals

Install behavior

建议审查

已安装的可执行文件

版本和新鲜度

软件包元数据

Source database details

Other package-manager records

内部软件包链接

主题 hub

相关工具

相同工作流

Agent security guides

由仓库数据生成

使用的来源