Debian 12 (Bookworm) native package

libgromacs-dev

GROMACS molecular dynamics sim, development kit

Packages / Debian 12 (Bookworm) / libdevel / libgromacs-dev

[Source: gromacs]

Package: libgromacs-dev (2022.5-2)

Maintainers:

Debichem Team

External Resources:

Homepage: [www.gromacs.org]

Similar packages:

[gromacs-data]
GROMACS molecular dynamics sim, data and documentation
[libgromacs7]
GROMACS molecular dynamics sim, shared libraries
[libnblib-gmx0]
GROMACS molecular dynamics sim, NB-LIB shared libraries
[libnblib-gmx-dev]
GROMACS molecular dynamics sim, NB-LIB development kit

GROMACS molecular dynamics sim, development kit

Other Packages Related to libgromacs-dev:

dep: [libfftw3-dev]
Library for computing Fast Fourier Transforms - development
dep: [libgromacs7] (= 2022.5-2)
GROMACS molecular dynamics sim, shared libraries

rec: [gromacs-data]
GROMACS molecular dynamics sim, data and documentation

sug: [mpi-default-bin]
Standard MPI runtime programs (metapackage)
sug: [mpi-default-dev]
Standard MPI development files (metapackage)
sug: [libx11-dev]
X11 client-side library (development headers)
sug: [zlib1g-dev]
compression library - development

Download libgromacs-dev

Architecture	Package Size	Installed Size	Files
amd64	164 KiB	1.0 MiB	[list of files]
arm64	164 KiB	1.0 MiB	[list of files]

Package file paths (132)

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/include/gromacs/analysisdata/abstractdata.h
/usr/include/gromacs/analysisdata/analysisdata.h
/usr/include/gromacs/analysisdata/arraydata.h
/usr/include/gromacs/analysisdata/dataframe.h
/usr/include/gromacs/analysisdata/datamodule.h
/usr/include/gromacs/analysisdata.h
/usr/include/gromacs/analysisdata/modules/average.h
/usr/include/gromacs/analysisdata/modules/displacement.h
/usr/include/gromacs/analysisdata/modules/histogram.h
/usr/include/gromacs/analysisdata/modules/lifetime.h
/usr/include/gromacs/analysisdata/modules/plot.h
/usr/include/gromacs/external/boost/stl_interfaces/fwd.hpp
/usr/include/gromacs/external/boost/stl_interfaces/iterator_interface.hpp
/usr/include/gromacs/fileio/confio.h
/usr/include/gromacs/fileio/filetypes.h
/usr/include/gromacs/fileio/oenv.h
/usr/include/gromacs/fileio/pdbio.h
/usr/include/gromacs/fileio/tpxio.h
/usr/include/gromacs/fileio/trxio.h
/usr/include/gromacs/libgromacs_export.h
/usr/include/gromacs/math/do_fit.h
/usr/include/gromacs/math/functions.h
/usr/include/gromacs/math/units.h
/usr/include/gromacs/math/utilities.h
/usr/include/gromacs/math/vec.h
/usr/include/gromacs/math/vectypes.h
/usr/include/gromacs/mdrun/simulationinputhandle.h
/usr/include/gromacs/mdtypes/inputrec.h
/usr/include/gromacs/mdtypes/md_enums.h
/usr/include/gromacs/options/abstractoption.h
/usr/include/gromacs/options/basicoptions.h
/usr/include/gromacs/options/filenameoption.h
/usr/include/gromacs/options/filenameoptionmanager.h
/usr/include/gromacs/options.h
/usr/include/gromacs/options/ioptionsbehavior.h
/usr/include/gromacs/options/ioptionscontainer.h
/usr/include/gromacs/options/ioptionscontainerwithsections.h
/usr/include/gromacs/options/ivaluestore.h
/usr/include/gromacs/options/optionfiletype.h
/usr/include/gromacs/options/optionflags.h
/usr/include/gromacs/options/options.h
/usr/include/gromacs/options/timeunitmanager.h
/usr/include/gromacs/pbcutil/pbc.h
/usr/include/gromacs/restraint/restraintpotential.h
/usr/include/gromacs/selection.h
/usr/include/gromacs/selection/indexutil.h
/usr/include/gromacs/selection/nbsearch.h
/usr/include/gromacs/selection/position.h
/usr/include/gromacs/selection/selectioncollection.h
/usr/include/gromacs/selection/selectionenums.h
/usr/include/gromacs/selection/selection.h
/usr/include/gromacs/selection/selectionoptionbehavior.h
/usr/include/gromacs/selection/selectionoption.h
/usr/include/gromacs/selection/selectionoptionmanager.h
/usr/include/gromacs/topology/atomprop.h
/usr/include/gromacs/topology/atoms.h
/usr/include/gromacs/topology/block.h
/usr/include/gromacs/topology/forcefieldparameters.h
/usr/include/gromacs/topology/idef.h
/usr/include/gromacs/topology/ifunc.h
/usr/include/gromacs/topology/index.h
/usr/include/gromacs/topology/symtab.h
/usr/include/gromacs/topology/topology.h
/usr/include/gromacs/trajectoryanalysis/analysismodule.h
/usr/include/gromacs/trajectoryanalysis/analysissettings.h
/usr/include/gromacs/trajectoryanalysis/cmdlinerunner.h
/usr/include/gromacs/trajectoryanalysis.h
/usr/include/gromacs/trajectoryanalysis/topologyinformation.h
/usr/include/gromacs/trajectory/trajectoryframe.h
/usr/include/gromacs/utility/arrayref.h
/usr/include/gromacs/utility/basedefinitions.h
/usr/include/gromacs/utility/baseversion.h
/usr/include/gromacs/utility/classhelpers.h
/usr/include/gromacs/utility/current_function.h
/usr/include/gromacs/utility/enumerationhelpers.h
/usr/include/gromacs/utility/exceptions.h
/usr/include/gromacs/utility/fileptr.h
/usr/include/gromacs/utility/flags.h
/usr/include/gromacs/utility/futil.h
/usr/include/gromacs/utility/gmxassert.h
/usr/include/gromacs/utility/listoflists.h
/usr/include/gromacs/utility/pleasecite.h
/usr/include/gromacs/utility/programcontext.h
/usr/include/gromacs/utility/range.h
/usr/include/gromacs/utility/real.h
/usr/include/gromacs/utility/smalloc.h
/usr/include/gromacs/utility/stringutil.h
/usr/include/gromacs/utility/unique_cptr.h
/usr/include/gromacs/version.h
/usr/lib/aarch64-linux-gnu/libgromacs_d.so
/usr/lib/aarch64-linux-gnu/libgromacs_mpi_d.so
/usr/lib/aarch64-linux-gnu/libgromacs_mpi.so
/usr/lib/aarch64-linux-gnu/libgromacs.so
/usr/lib/aarch64-linux-gnu/pkgconfig/libgromacs_d.pc
/usr/lib/aarch64-linux-gnu/pkgconfig/libgromacs_mpi_d.pc
/usr/lib/aarch64-linux-gnu/pkgconfig/libgromacs_mpi.pc
/usr/lib/aarch64-linux-gnu/pkgconfig/libgromacs.pc
/usr/lib/x86_64-linux-gnu/libgromacs_d.so
/usr/lib/x86_64-linux-gnu/libgromacs_mpi_d.so
/usr/lib/x86_64-linux-gnu/libgromacs_mpi.so
/usr/lib/x86_64-linux-gnu/libgromacs.so
/usr/lib/x86_64-linux-gnu/pkgconfig/libgromacs_d.pc
/usr/lib/x86_64-linux-gnu/pkgconfig/libgromacs_mpi_d.pc
/usr/lib/x86_64-linux-gnu/pkgconfig/libgromacs_mpi.pc
/usr/lib/x86_64-linux-gnu/pkgconfig/libgromacs.pc
/usr/share/cmake/gromacs_d/gromacs_d-config.cmake
/usr/share/cmake/gromacs_d/gromacs_d-config-version.cmake
/usr/share/cmake/gromacs_d/gromacs-hints_d.cmake
/usr/share/cmake/gromacs_d/libgromacs.cmake
/usr/share/cmake/gromacs_d/libgromacs-release.cmake
/usr/share/cmake/gromacs/gromacs-config.cmake
/usr/share/cmake/gromacs/gromacs-config-version.cmake
/usr/share/cmake/gromacs/gromacs-hints.cmake
/usr/share/cmake/gromacs/libgromacs.cmake
/usr/share/cmake/gromacs/libgromacs-release.cmake
/usr/share/cmake/gromacs_mpi_d/gromacs-hints_mpi_d.cmake
/usr/share/cmake/gromacs_mpi_d/gromacs_mpi_d-config.cmake
/usr/share/cmake/gromacs_mpi_d/gromacs_mpi_d-config-version.cmake
/usr/share/cmake/gromacs_mpi_d/libgromacs.cmake
/usr/share/cmake/gromacs_mpi_d/libgromacs-release.cmake
/usr/share/cmake/gromacs_mpi/gromacs-hints_mpi.cmake
/usr/share/cmake/gromacs_mpi/gromacs_mpi-config.cmake
/usr/share/cmake/gromacs_mpi/gromacs_mpi-config-version.cmake
/usr/share/cmake/gromacs_mpi/libgromacs.cmake
/usr/share/cmake/gromacs_mpi/libgromacs-release.cmake
/usr/share/doc/libgromacs-dev/changelog.Debian.gz
/usr/share/doc/libgromacs-dev/copyright
/usr/share/gromacs/template/cmake/FindGROMACS.cmake
/usr/share/gromacs/template/CMakeLists.txt
/usr/share/gromacs/template/Makefile.pkg
/usr/share/gromacs/template/README
/usr/share/gromacs/template/template.cpp

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

Use this package

OpenFactory can boot this operating system in a browser VM, or start a build that includes the native package name from this record.

Try Debian 12 (Bookworm) in the browser Build an image that includes libgromacs-dev

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
2022.5-2	bookworm / main	amd64	Debian 12 · main · amd64	164 KiB	1.0 MiB	pool/main/g/gromacs/libgromacs-dev_2022.5-2_amd64.deb
2022.5-2	bookworm / main	arm64	Debian 12 · main · arm64	164 KiB	1.0 MiB	pool/main/g/gromacs/libgromacs-dev_2022.5-2_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.

2022.5-2 / 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: 9c903fbc51f2dd00478d998700f7724f88348b17c068b6ef25b4924b1105e346

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

printf '%s  %s\n' '9c903fbc51f2dd00478d998700f7724f88348b17c068b6ef25b4924b1105e346' 'libgromacs-dev_2022.5-2_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

2022.5-2 / 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: 685f821bee165cbaaa2088ee09d02e8f017e19a5b8ff8c4895dd0391b0750874

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

printf '%s  %s\n' '685f821bee165cbaaa2088ee09d02e8f017e19a5b8ff8c4895dd0391b0750874' 'libgromacs-dev_2022.5-2_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