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gromacs-devel

Molecular dynamics package

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[Source: gromacs]

Package: gromacs-devel (2022.4-bp156.2.7)

[Project overview: gromacs]

External Resources:

Homepage: [www.gromacs.org]

Similar packages:

[gromacs]
Molecular Dynamics Package
[gromacs-bash-completion]
Bash completion for Gromacs
[gromacs-data]
Data files for Gromacs
[gromacs-doc]
Documentation for Gromacs
[libgmxapi0]
Libraries for Gromacs
[libgromacs7]
Libraries for Gromacs
[libnblib_gmx0]
Libraries for Gromacs

Molecular dynamics package

GROMACS is a package to perform molecular dynamics computer simulations. This package contains development libraries and header for GROMACS

Other Packages Related to gromacs-devel:

dep: /usr/bin/pkg-config
Package not available
dep: [gromacs] (= 2022.4-bp156.2.7)
Molecular Dynamics Package
dep: [libgmxapi0] (= 2022.4-bp156.2.7)
Libraries for Gromacs
dep: [libgromacs7] (= 2022.4-bp156.2.7)
Libraries for Gromacs
dep: [libnblib_gmx0] (= 2022.4-bp156.2.7)
Libraries for Gromacs
dep: pkgconfig(fftw3f)
Package not available

Download gromacs-devel

Architecture	Package Size	Installed Size	Files
aarch64	231 KiB	1.1 MiB	[list of files]
ppc64le	231 KiB	1.1 MiB	[list of files]
x86_64	261 KiB	1.3 MiB	[list of files]

Package file paths (201)

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/gmxapi
/usr/include/gmxapi/compat
/usr/include/gmxapi/compat/mdparams.h
/usr/include/gmxapi/compat/tpr.h
/usr/include/gmxapi/context.h
/usr/include/gmxapi/exceptions.h
/usr/include/gmxapi/gmxapicompat.h
/usr/include/gmxapi/gmxapi.h
/usr/include/gmxapi/gromacsfwd.h
/usr/include/gmxapi/md
/usr/include/gmxapi/md.h
/usr/include/gmxapi/md/mdmodule.h
/usr/include/gmxapi/md/mdsignals.h
/usr/include/gmxapi/mpi
/usr/include/gmxapi/mpi/gmxapi_mpi.h
/usr/include/gmxapi/mpi/resourceassignment.h
/usr/include/gmxapi/session
/usr/include/gmxapi/session.h
/usr/include/gmxapi/session/resources.h
/usr/include/gmxapi/status.h
/usr/include/gmxapi/system.h
/usr/include/gmxapi/version.h
/usr/include/gromacs
/usr/include/gromacs/analysisdata
/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
/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
/usr/include/gromacs/external/boost
/usr/include/gromacs/external/boost/stl_interfaces
/usr/include/gromacs/external/boost/stl_interfaces/fwd.hpp
/usr/include/gromacs/external/boost/stl_interfaces/iterator_interface.hpp
/usr/include/gromacs/fileio
/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
/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
/usr/include/gromacs/mdrun/simulationinputhandle.h
/usr/include/gromacs/mdtypes
/usr/include/gromacs/mdtypes/inputrec.h
/usr/include/gromacs/mdtypes/md_enums.h
/usr/include/gromacs/options
/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
/usr/include/gromacs/pbcutil/pbc.h
/usr/include/gromacs/restraint
/usr/include/gromacs/restraint/restraintpotential.h
/usr/include/gromacs/selection
/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
/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/trajectory
/usr/include/gromacs/trajectoryanalysis
/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
/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/include/nblib
/usr/include/nblib/basicdefinitions.h
/usr/include/nblib/box.h
/usr/include/nblib/exception.h
/usr/include/nblib/gmxcalculatorcpu.h
/usr/include/nblib/integrator.h
/usr/include/nblib/interactions.h
/usr/include/nblib/kerneloptions.h
/usr/include/nblib/listed_forces
/usr/include/nblib/listed_forces/bondtypes.h
/usr/include/nblib/listed_forces/calculator.h
/usr/include/nblib/listed_forces/definitions.h
/usr/include/nblib/molecules.h
/usr/include/nblib/nblib.h
/usr/include/nblib/nbnxmsetuphelpers.h
/usr/include/nblib/particlesequencer.h
/usr/include/nblib/particletype.h
/usr/include/nblib/simulationstate.h
/usr/include/nblib/topology.h
/usr/include/nblib/tpr.h
/usr/include/nblib/util
/usr/include/nblib/util/setup.h
/usr/include/nblib/util/traits.hpp
/usr/include/nblib/util/util.hpp
/usr/include/nblib/vector.h
/usr/lib64/libgmxapi.so
/usr/lib64/libgromacs.so
/usr/lib64/libnblib_gmx.so
/usr/lib64/pkgconfig/libgromacs.pc
/usr/share/cmake
/usr/share/cmake/gmxapi
/usr/share/cmake/gmxapi/gmxapi.cmake
/usr/share/cmake/gmxapi/gmxapi-config.cmake
/usr/share/cmake/gmxapi/gmxapi-config-version.cmake
/usr/share/cmake/gmxapi/gmxapi-release.cmake
/usr/share/cmake/gromacs
/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/gromacs/opencl
/usr/share/gromacs/opencl/gromacs
/usr/share/gromacs/opencl/gromacs/ewald
/usr/share/gromacs/opencl/gromacs/ewald/pme_gather.clh
/usr/share/gromacs/opencl/gromacs/ewald/pme_gpu_calculate_splines.clh
/usr/share/gromacs/opencl/gromacs/ewald/pme_gpu_types.h
/usr/share/gromacs/opencl/gromacs/ewald/pme_program.cl
/usr/share/gromacs/opencl/gromacs/ewald/pme_solve.clh
/usr/share/gromacs/opencl/gromacs/ewald/pme_spread.clh
/usr/share/gromacs/opencl/gromacs/gpu_utils
/usr/share/gromacs/opencl/gromacs/gpu_utils/device_utils.clh
/usr/share/gromacs/opencl/gromacs/gpu_utils/vectype_ops.clh
/usr/share/gromacs/opencl/gromacs/nbnxm
/usr/share/gromacs/opencl/gromacs/nbnxm/opencl
/usr/share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_consts.h
/usr/share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernel.clh
/usr/share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernel_pruneonly.clh
/usr/share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels.cl
/usr/share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels.clh
/usr/share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels_fastgen_add_twincut.clh
/usr/share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernels_fastgen.clh
/usr/share/gromacs/opencl/gromacs/nbnxm/opencl/nbnxm_ocl_kernel_utils.clh
/usr/share/gromacs/opencl/gromacs/pbcutil
/usr/share/gromacs/opencl/gromacs/pbcutil/ishift.h
/usr/share/gromacs/template
/usr/share/gromacs/template/cmake
/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

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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
2022.4-bp156.2.7	leap-15.6 / oss	aarch64	openSUSE Leap 15.6 · OSS · multi-architecture	231 KiB	1.1 MiB	aarch64/gromacs-devel-2022.4-bp156.2.7.aarch64.rpm
2022.4-bp156.2.7	leap-15.6 / oss	ppc64le	openSUSE Leap 15.6 · OSS · multi-architecture	231 KiB	1.1 MiB	ppc64le/gromacs-devel-2022.4-bp156.2.7.ppc64le.rpm
2022.4-bp156.2.7	leap-15.6 / oss	x86_64	openSUSE Leap 15.6 · OSS · multi-architecture	261 KiB	1.3 MiB	x86_64/gromacs-devel-2022.4-bp156.2.7.x86_64.rpm

Field source: openSUSE Leap 15.6 OSS revision leap-15-6-oss-multiarch:ca2653101b9afba6656aea529109ba0c0f1ca1a92aa8614e7c887fda5264c230

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.

2022.4-bp156.2.7 / aarch64Observed 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 sha512: ec8bc760c0c213a89cee842d0321b1deb348ec1712c58ff801b7298ff992863e87fbcb0936e7beae1b2e0b04cfe1868d69061e37d5fd8be7cfe5986e2ad38fd4

Field source: openSUSE Leap 15.6 OSS revision leap-15-6-oss-multiarch:ca2653101b9afba6656aea529109ba0c0f1ca1a92aa8614e7c887fda5264c230

2022.4-bp156.2.7 / ppc64leObserved 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 sha512: e4543c1e3d3de219488b26b1d35e060d71be7c28edc68427545ec1af665f70c9a130aed4896a340cd9bb1c8a36c576932c90bf947fddc274e98a34c8947a2c40

Field source: openSUSE Leap 15.6 OSS revision leap-15-6-oss-multiarch:ca2653101b9afba6656aea529109ba0c0f1ca1a92aa8614e7c887fda5264c230

2022.4-bp156.2.7 / x86_64Observed 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 sha512: 50261af54fa4900b4a763e50af654f6f1ae5c7eef619c9248b5cda348ec479776399e9c3266a1bc8da647b21a13a8ad3e1a18f1ce576ecd4000398ce35de2158

Field source: openSUSE Leap 15.6 OSS revision leap-15-6-oss-multiarch:ca2653101b9afba6656aea529109ba0c0f1ca1a92aa8614e7c887fda5264c230

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: 5/5
Source package or maintainer: 10/10

Recorded total: 100/100

Field source: openSUSE Leap 15.6 OSS revision leap-15-6-oss-multiarch:ca2653101b9afba6656aea529109ba0c0f1ca1a92aa8614e7c887fda5264c230. 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.

openSUSE Leap 15.6 OSSSep 1, 2026
Authoritative source; repository metadata signature verified, revision leap-15-6-oss-multiarch:ca2653101b9afba6656aea529109ba0c0f1ca1a92aa8614e7c887fda5264c230
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://download.opensuse.org/distribution/leap/15.6/repo/oss/repodata/repomd.xml
Signed-object SHA-256
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AD485664E901B867051AB15F35A2F86E29B700A4
Keyring revision
opensuse-project-signing-key.asc
SHA-256 b5745739ebfb95b25b8e810f9bcb847fe750ccda598bd85f02f0e974599a6d7e
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: Not recorded
Expected SHA-256: Not recorded
Observed SHA-256: Not recorded
Result: match verified