Debian 12 (Bookworm) native package

cp2k

Ab Initio Molecular Dynamics

Packages / Debian 12 (Bookworm) / science / cp2k

Package: cp2k (2023.1-2)

Maintainers:

Debichem Team

External Resources:

Homepage: [www.cp2k.org]

Ab Initio Molecular Dynamics

Other Packages Related to cp2k:

dep: [cp2k-data] (= 2023.1-2)
Ab Initio Molecular Dynamics (data files)
dep: [libblas3]
Basic Linear Algebra Reference implementations, shared library
dep: libblas.so.3
Package not available
dep: [libc6] (>= 2.35)
GNU C Library: Shared libraries
dep: [libelpa19] (>= 2022.11.001)
Eigenvalue SoLvers for Petaflop-Applications
dep: [libfftw3-double3] (>= 3.3.10)
Library for computing Fast Fourier Transforms - Double precision
dep: [libgcc-s1] (>= 4.0)
GCC support library
dep: [libgfortran5] (>= 10)
Runtime library for GNU Fortran applications
dep: [libgomp1] (>= 6)
GCC OpenMP (GOMP) support library
dep: [libint2-2]
Computation Chemistry Integral Evaluation Library
dep: [liblapack3]
Library of linear algebra routines 3 - shared version
dep: liblapack.so.3
Package not available
dep: [libopenmpi3] (>= 4.1.4)
high performance message passing library -- shared library
dep: [libscalapack-openmpi2.2] (>= 2.2.1)
Scalable Linear Algebra Package - Shared libs for OpenMPI
dep: [libsymspg1] (>= 2.0.2-1+b2)
C library for crystal symmetry determination
dep: [libxc9] (>= 5.1.6)
Library of Exchange-Correlation Functionals

Download cp2k

Architecture	Package Size	Installed Size	Files
amd64	16 MiB	50 MiB	[list of files]
arm64	15 MiB	36 MiB	[list of files]

Package file paths (19)

Paths come from the repository package-file index for the observed builds. They describe archive/package associations, not every file that will exist on a running system after maintainer scripts, alternatives, generated state, diversions, or installation choices.

/usr/bin/cp2k
/usr/bin/cp2k.popt
/usr/bin/cp2k.psmp
/usr/bin/cp2k_shell
/usr/bin/cp2k_shell.psmp
/usr/share/doc/cp2k/changelog.Debian.gz
/usr/share/doc/cp2k/copyright
/usr/share/doc/cp2k/examples/argon.inp.gz
/usr/share/doc/cp2k/examples/Ar-qmmm.inp.gz
/usr/share/doc/cp2k/examples/C.inp
/usr/share/doc/cp2k/examples/h2_dbg_0.inp
/usr/share/doc/cp2k/examples/H2O-32_ewald.inp.gz
/usr/share/doc/cp2k/examples/H2O-hfx-1.inp
/usr/share/doc/cp2k/examples/h2o.inp
/usr/share/doc/cp2k/examples/H2O.inp
/usr/share/doc/cp2k/examples/h2o_pint_qs_nose.inp
/usr/share/doc/cp2k/examples/H2O-qmmm-gauss-10.inp
/usr/share/doc/cp2k/examples/H2O_tddfpt-s-1.inp
/usr/share/doc/cp2k/TODO.Debian

Field source: Debian 12 (Bookworm) main amd64 revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5

Versions, suites, and repositories

Each row is recorded package-index metadata for one version, architecture, suite, and repository. Names, URLs, and sizes are source-reported; a link is a potentially mutable retrieval location, not an OpenFactory redistribution claim or proof that OpenFactory retained the artifact bytes.

Version	Release	Architecture	Repository	Package size	Installed size	Publisher repository artifact
2023.1-2	bookworm / main	amd64	Debian 12 · main · amd64	16 MiB	50 MiB	pool/main/c/cp2k/cp2k_2023.1-2_amd64.deb
2023.1-2	bookworm / main	arm64	Debian 12 · main · arm64	15 MiB	36 MiB	pool/main/c/cp2k/cp2k_2023.1-2_arm64.deb

Field source: Debian 12 (Bookworm) main amd64 revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5

Checksums and observation dates

For an APT source, signature verification authenticates the repository metadata chain and the Packages index containing this source-reported artifact digest. It does not certify package safety.

2023.1-2 / amd64Observed Sep 1, 2026 to Sep 1, 2026

Verification status: Metadata observed; artifact bytes were not independently fetched or hashed by this catalog import. The digest below is source-reported.

Source-reported sha256: 6033bab15f7044ad0447fe76614b3a38574b474a64a819356cefd515ec807d35

After downloading that exact artifact, compare its bytes with the source-reported expected digest:

printf '%s  %s\n' '6033bab15f7044ad0447fe76614b3a38574b474a64a819356cefd515ec807d35' 'cp2k_2023.1-2_amd64.deb' | sha256sum --check --strict -

A match establishes equality with the repository metadata value. It does not establish safety or catalog-side artifact retrieval.

Field source: Debian 12 (Bookworm) main amd64 revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5

2023.1-2 / arm64Observed Sep 1, 2026 to Sep 1, 2026

Verification status: Metadata observed; artifact bytes were not independently fetched or hashed by this catalog import. The digest below is source-reported.

Source-reported sha256: 792ca4d8fa3ae3556f6a5a6e15e8e72550c0b1b54ae8b5043ab790f91afc1166

After downloading that exact artifact, compare its bytes with the source-reported expected digest:

printf '%s  %s\n' '792ca4d8fa3ae3556f6a5a6e15e8e72550c0b1b54ae8b5043ab790f91afc1166' 'cp2k_2023.1-2_arm64.deb' | sha256sum --check --strict -

A match establishes equality with the repository metadata value. It does not establish safety or catalog-side artifact retrieval.

Field source: Debian 12 (Bookworm) main arm64 revision bookworm-main-arm64:2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00

Catalog record completeness

The completeness score measures metadata coverage, not software quality, security, compatibility, or suitability.

Summary and description: 25/25
Artifact path and source digest: 25/25
Dependency metadata: 15/15
Package-file index: 15/15
Homepage: 5/5
License text: 0/5
Source package or maintainer: 10/10

Recorded total: 95/100

Field source: Debian 12 (Bookworm) main amd64 revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5, Debian 12 (Bookworm) main arm64 revision bookworm-main-arm64:2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00. The cross-OS mapping is catalog-derived from the source-reported homepage; it does not establish authorship or publisher identity

Sources and provenance

Field-source links above resolve here. Each source entry names the metadata publisher, trust tier, exact snapshot revision, signature result, and observation time; catalog-derived mappings are labeled separately.

Debian 12 (Bookworm) main amd64Sep 1, 2026
Authoritative source; repository metadata signature verified, revision bookworm-main-amd64:9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5
Signature verification covers the configured repository metadata chain. It does not certify that the package is safe or suitable.
Repository-signature verification record
Signed object
https://deb.debian.org/debian/dists/bookworm/InRelease
Signed-object SHA-256
77737fa4b34f2693e982cc9ee35736816c35a7778fc2d326cc1bbf5b301fe1aa
Signer fingerprint
4CB50190207B4758A3F73A796ED0E7B82643E131
Keyring revision
debian-archive-keyring.gpg
SHA-256 506b815cbb32d9b6066b4a2aa524071e071761e7e7f68c3ac74f3061ba852017
Tool and policy
gpgv (GnuPG) 2.4.9
openfactory-software-catalog-signature-v1
Verification time
Sep 1, 2026
Signed Release → package-index hash linkage
Path: main/binary-amd64/Packages.xz
Expected SHA-256: 9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5
Observed SHA-256: 9e0b5aabb2465b3d2e7a7fe27f9913846277833f7a2826e7767acccff5b588c5
Result: match verified
Debian 12 (Bookworm) main arm64Sep 1, 2026
Authoritative source; repository metadata signature verified, revision bookworm-main-arm64:2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00
Signature verification covers the configured repository metadata chain. It does not certify that the package is safe or suitable.
Repository-signature verification record
Signed object
https://deb.debian.org/debian/dists/bookworm/InRelease
Signed-object SHA-256
77737fa4b34f2693e982cc9ee35736816c35a7778fc2d326cc1bbf5b301fe1aa
Signer fingerprint
4CB50190207B4758A3F73A796ED0E7B82643E131
Keyring revision
debian-archive-keyring.gpg
SHA-256 506b815cbb32d9b6066b4a2aa524071e071761e7e7f68c3ac74f3061ba852017
Tool and policy
gpgv (GnuPG) 2.4.9
openfactory-software-catalog-signature-v1
Verification time
Sep 1, 2026
Signed Release → package-index hash linkage
Path: main/binary-arm64/Packages.xz
Expected SHA-256: 2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00
Observed SHA-256: 2ddb1737692e8c45c53e8d57c0ce4cd21c78c5703b830c3226b1423566a06c00
Result: match verified