How To Install gromacs-devel on Rocky Linux 8
In this tutorial we learn how to install gromacs-devel on Rocky Linux 8. gromacs-devel is GROMACS header files and development libraries
Introduction
In this tutorial we learn how to install gromacs-devel on Rocky Linux 8.
What is gromacs-devel
GROMACS is a versatile and extremely well optimized package to perform molecular dynamics computer simulations and subsequent trajectory analysis. It is developed for bio-molecules like proteins, but the extremely high performance means it is used also in several other field like polymer chemistry and solid state physics. This package contains header files and development libraries for the GROMACS molecular dynamics software. You need it if you want to write your own analysis programs.
We can use yum or dnf to install gromacs-devel on Rocky Linux 8. In this tutorial we discuss both methods but you only need to choose one of method to install gromacs-devel.
Install gromacs-devel on Rocky Linux 8 Using dnf
Update yum database with dnf using the following command.
sudo dnf makecache --refresh
After updating yum database, We can install gromacs-devel using dnf by running the following command:
sudo dnf -y install gromacs-devel
Install gromacs-devel on Rocky Linux 8 Using yum
Update yum database with yum using the following command.
sudo yum makecache --refresh
After updating yum database, We can install gromacs-devel using yum by running the following command:
sudo yum -y install gromacs-devel
How To Uninstall gromacs-devel on Rocky Linux 8
To uninstall only the gromacs-devel package we can use the following command:
sudo dnf remove gromacs-devel
gromacs-devel Package Contents on Rocky Linux 8
/usr/include/gromacs
/usr/include/gromacs/analysisdata
/usr/include/gromacs/analysisdata.h
/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/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/commandline
/usr/include/gromacs/commandline.h
/usr/include/gromacs/commandline/cmdlinehelpwriter.h
/usr/include/gromacs/commandline/cmdlineinit.h
/usr/include/gromacs/commandline/cmdlinemodule.h
/usr/include/gromacs/commandline/cmdlineoptionsmodule.h
/usr/include/gromacs/commandline/cmdlineparser.h
/usr/include/gromacs/commandline/cmdlineprogramcontext.h
/usr/include/gromacs/commandline/filenm.h
/usr/include/gromacs/commandline/pargs.h
/usr/include/gromacs/commandline/viewit.h
/usr/include/gromacs/compat
/usr/include/gromacs/compat/make_unique.h
/usr/include/gromacs/fft
/usr/include/gromacs/fft/fft.h
/usr/include/gromacs/fileio
/usr/include/gromacs/fileio/confio.h
/usr/include/gromacs/fileio/enxio.h
/usr/include/gromacs/fileio/filetypes.h
/usr/include/gromacs/fileio/gmxfio.h
/usr/include/gromacs/fileio/matio.h
/usr/include/gromacs/fileio/mtxio.h
/usr/include/gromacs/fileio/oenv.h
/usr/include/gromacs/fileio/pdbio.h
/usr/include/gromacs/fileio/rgb.h
/usr/include/gromacs/fileio/tpxio.h
/usr/include/gromacs/fileio/trrio.h
/usr/include/gromacs/fileio/trxio.h
/usr/include/gromacs/fileio/xdr_datatype.h
/usr/include/gromacs/fileio/xtcio.h
/usr/include/gromacs/fileio/xvgr.h
/usr/include/gromacs/gmxana
/usr/include/gromacs/gmxana/gstat.h
/usr/include/gromacs/gpu_utils
/usr/include/gromacs/gpu_utils/hostallocator.h
/usr/include/gromacs/linearalgebra
/usr/include/gromacs/linearalgebra/eigensolver.h
/usr/include/gromacs/linearalgebra/matrix.h
/usr/include/gromacs/linearalgebra/sparsematrix.h
/usr/include/gromacs/math
/usr/include/gromacs/math/3dtransforms.h
/usr/include/gromacs/math/arrayrefwithpadding.h
/usr/include/gromacs/math/do_fit.h
/usr/include/gromacs/math/functions.h
/usr/include/gromacs/math/gmxcomplex.h
/usr/include/gromacs/math/paddedvector.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/mdlib
/usr/include/gromacs/mdlib/simulationsignal.h
/usr/include/gromacs/mdtypes
/usr/include/gromacs/mdtypes/inputrec.h
/usr/include/gromacs/mdtypes/md_enums.h
/usr/include/gromacs/mdtypes/mdatom.h
/usr/include/gromacs/mdtypes/state.h
/usr/include/gromacs/options
/usr/include/gromacs/options.h
/usr/include/gromacs/options/abstractoption.h
/usr/include/gromacs/options/abstractsection.h
/usr/include/gromacs/options/basicoptions.h
/usr/include/gromacs/options/filenameoption.h
/usr/include/gromacs/options/filenameoptionmanager.h
/usr/include/gromacs/options/ioptionsbehavior.h
/usr/include/gromacs/options/ioptionscontainer.h
/usr/include/gromacs/options/ioptionscontainerwithsections.h
/usr/include/gromacs/options/isectionstorage.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/optionsection.h
/usr/include/gromacs/options/repeatingsection.h
/usr/include/gromacs/options/timeunitmanager.h
/usr/include/gromacs/options/valuestore.h
/usr/include/gromacs/pbcutil
/usr/include/gromacs/pbcutil/ishift.h
/usr/include/gromacs/pbcutil/pbc.h
/usr/include/gromacs/pbcutil/rmpbc.h
/usr/include/gromacs/random
/usr/include/gromacs/random.h
/usr/include/gromacs/random/exponentialdistribution.h
/usr/include/gromacs/random/gammadistribution.h
/usr/include/gromacs/random/normaldistribution.h
/usr/include/gromacs/random/seed.h
/usr/include/gromacs/random/tabulatednormaldistribution.h
/usr/include/gromacs/random/threefry.h
/usr/include/gromacs/random/uniformintdistribution.h
/usr/include/gromacs/random/uniformrealdistribution.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/selection.h
/usr/include/gromacs/selection/selectioncollection.h
/usr/include/gromacs/selection/selectionenums.h
/usr/include/gromacs/selection/selectionoption.h
/usr/include/gromacs/selection/selectionoptionbehavior.h
/usr/include/gromacs/selection/selectionoptionmanager.h
/usr/include/gromacs/timing
/usr/include/gromacs/timing/wallcycle.h
/usr/include/gromacs/timing/walltime_accounting.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/mtop_util.h
/usr/include/gromacs/topology/symtab.h
/usr/include/gromacs/topology/topology.h
/usr/include/gromacs/trajectory
/usr/include/gromacs/trajectory/energyframe.h
/usr/include/gromacs/trajectory/trajectoryframe.h
/usr/include/gromacs/trajectoryanalysis
/usr/include/gromacs/trajectoryanalysis.h
/usr/include/gromacs/trajectoryanalysis/analysismodule.h
/usr/include/gromacs/trajectoryanalysis/analysissettings.h
/usr/include/gromacs/trajectoryanalysis/cmdlinerunner.h
/usr/include/gromacs/trajectoryanalysis/topologyinformation.h
/usr/include/gromacs/utility
/usr/include/gromacs/utility.h
/usr/include/gromacs/utility/alignedallocator.h
/usr/include/gromacs/utility/allocator.h
/usr/include/gromacs/utility/arrayref.h
/usr/include/gromacs/utility/arraysize.h
/usr/include/gromacs/utility/basedefinitions.h
/usr/include/gromacs/utility/baseversion.h
/usr/include/gromacs/utility/classhelpers.h
/usr/include/gromacs/utility/cstringutil.h
/usr/include/gromacs/utility/current_function.h
/usr/include/gromacs/utility/datafilefinder.h
/usr/include/gromacs/utility/errorcodes.h
/usr/include/gromacs/utility/exceptions.h
/usr/include/gromacs/utility/fatalerror.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/init.h
/usr/include/gromacs/utility/programcontext.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/lib64/libgromacs.so
/usr/lib64/libgromacs_d.so
/usr/lib64/pkgconfig/libgromacs.pc
/usr/lib64/pkgconfig/libgromacs_d.pc
/usr/share/cmake/gromacs
/usr/share/cmake/gromacs/gromacs-config-version.cmake
/usr/share/cmake/gromacs/gromacs-config.cmake
/usr/share/cmake/gromacs/libgromacs-release.cmake
/usr/share/cmake/gromacs/libgromacs.cmake
/usr/share/cmake/gromacs_d
/usr/share/cmake/gromacs_d/gromacs_d-config-version.cmake
/usr/share/cmake/gromacs_d/gromacs_d-config.cmake
/usr/share/cmake/gromacs_d/libgromacs-release.cmake
/usr/share/cmake/gromacs_d/libgromacs.cmake
/usr/share/gromacs/template
/usr/share/gromacs/template/CMakeLists.txt
/usr/share/gromacs/template/Makefile.pkg
/usr/share/gromacs/template/README
/usr/share/gromacs/template/cmake
/usr/share/gromacs/template/cmake/FindGROMACS.cmake
/usr/share/gromacs/template/template.cpp
References
Summary
In this tutorial we learn how to install gromacs-devel on Rocky Linux 8 using yum and dnf.