How To Install votca-xtp-devel on CentOS 8
votca-xtp-devel is Development headers and libraries for VOTCA XTP
Introduction
In this tutorial we learn how to install votca-xtp-devel on CentOS 8.
What is votca-xtp-devel
Versatile Object-oriented Toolkit for Coarse-graining Applications (VOTCA) is a package intended to reduce the amount of routine work when doing systematic coarse-graining of various systems. The core is written in C++. This package contains development headers and libraries for the excitation and charge properties module.
We can use yum or dnf to install votca-xtp-devel on CentOS 8. In this tutorial we discuss both methods but you only need to choose one of method to install votca-xtp-devel.
Install votca-xtp-devel on CentOS 8 Using dnf
Update yum database with dnf using the following command.
sudo dnf makecache --refresh
The output should look something like this:
CentOS Linux 8 - AppStream 43 kB/s | 4.3 kB 00:00
CentOS Linux 8 - BaseOS 65 kB/s | 3.9 kB 00:00
CentOS Linux 8 - ContinuousRelease 43 kB/s | 3.0 kB 00:00
CentOS Linux 8 - Extras 23 kB/s | 1.5 kB 00:00
CentOS Linux 8 - FastTrack 40 kB/s | 3.0 kB 00:00
CentOS Linux 8 - HighAvailability 36 kB/s | 3.9 kB 00:00
CentOS Linux 8 - Plus 24 kB/s | 1.5 kB 00:00
CentOS Linux 8 - PowerTools 50 kB/s | 4.3 kB 00:00
Extra Packages for Enterprise Linux Modular 8 - x86_64 13 kB/s | 9.2 kB 00:00
Extra Packages for Enterprise Linux 8 - x86_64 24 kB/s | 8.5 kB 00:00
Metadata cache created.
After updating yum database, We can install votca-xtp-devel using dnf by running the following command:
sudo dnf -y install votca-xtp-devel
Install votca-xtp-devel on CentOS 8 Using yum
Update yum database with yum using the following command.
sudo yum makecache --refresh
The output should look something like this:
CentOS Linux 8 - AppStream 43 kB/s | 4.3 kB 00:00
CentOS Linux 8 - BaseOS 65 kB/s | 3.9 kB 00:00
CentOS Linux 8 - ContinuousRelease 43 kB/s | 3.0 kB 00:00
CentOS Linux 8 - Extras 23 kB/s | 1.5 kB 00:00
CentOS Linux 8 - FastTrack 40 kB/s | 3.0 kB 00:00
CentOS Linux 8 - HighAvailability 36 kB/s | 3.9 kB 00:00
CentOS Linux 8 - Plus 24 kB/s | 1.5 kB 00:00
CentOS Linux 8 - PowerTools 50 kB/s | 4.3 kB 00:00
Extra Packages for Enterprise Linux Modular 8 - x86_64 13 kB/s | 9.2 kB 00:00
Extra Packages for Enterprise Linux 8 - x86_64 24 kB/s | 8.5 kB 00:00
Metadata cache created.
After updating yum database, We can install votca-xtp-devel using yum by running the following command:
sudo yum -y install votca-xtp-devel
How To Uninstall votca-xtp-devel on CentOS 8
To uninstall only the votca-xtp-devel package we can use the following command:
sudo dnf remove votca-xtp-devel
votca-xtp-devel Package Contents on CentOS 8
/usr/include/votca/xtp
/usr/include/votca/xtp/ERIs.h
/usr/include/votca/xtp/IndexParser.h
/usr/include/votca/xtp/adiis.h
/usr/include/votca/xtp/adiis_costfunction.h
/usr/include/votca/xtp/amplitude_integration.h
/usr/include/votca/xtp/aobasis.h
/usr/include/votca/xtp/aomatrix.h
/usr/include/votca/xtp/aomatrix3d.h
/usr/include/votca/xtp/aopotential.h
/usr/include/votca/xtp/aoshell.h
/usr/include/votca/xtp/aotransform.h
/usr/include/votca/xtp/atom.h
/usr/include/votca/xtp/atomcontainer.h
/usr/include/votca/xtp/basisset.h
/usr/include/votca/xtp/bfgs-trm.h
/usr/include/votca/xtp/bse.h
/usr/include/votca/xtp/bse_operator.h
/usr/include/votca/xtp/bse_population.h
/usr/include/votca/xtp/bsecoupling.h
/usr/include/votca/xtp/bseoperator_btda.h
/usr/include/votca/xtp/calculatorfactory.h
/usr/include/votca/xtp/chargecarrier.h
/usr/include/votca/xtp/checkpoint.h
/usr/include/votca/xtp/checkpoint_utils.h
/usr/include/votca/xtp/checkpointreader.h
/usr/include/votca/xtp/checkpointtable.h
/usr/include/votca/xtp/checkpointwriter.h
/usr/include/votca/xtp/classicalsegment.h
/usr/include/votca/xtp/convergenceacc.h
/usr/include/votca/xtp/couplingbase.h
/usr/include/votca/xtp/cubefile_writer.h
/usr/include/votca/xtp/cudamatrix.h
/usr/include/votca/xtp/cudapipeline.h
/usr/include/votca/xtp/davidsonsolver.h
/usr/include/votca/xtp/density_integration.h
/usr/include/votca/xtp/dftcoupling.h
/usr/include/votca/xtp/dftengine.h
/usr/include/votca/xtp/diis.h
/usr/include/votca/xtp/dipoledipoleinteraction.h
/usr/include/votca/xtp/ecpaobasis.h
/usr/include/votca/xtp/ecpaoshell.h
/usr/include/votca/xtp/ecpbasisset.h
/usr/include/votca/xtp/eeinteractor.h
/usr/include/votca/xtp/eigen.h
/usr/include/votca/xtp/energy_costfunction.h
/usr/include/votca/xtp/energy_terms.h
/usr/include/votca/xtp/esp2multipole.h
/usr/include/votca/xtp/espfit.h
/usr/include/votca/xtp/extractorfactory.h
/usr/include/votca/xtp/filterfactory.h
/usr/include/votca/xtp/forces.h
/usr/include/votca/xtp/fourcenter.h
/usr/include/votca/xtp/geometry_optimization.h
/usr/include/votca/xtp/glink.h
/usr/include/votca/xtp/gnode.h
/usr/include/votca/xtp/grid.h
/usr/include/votca/xtp/grid_containers.h
/usr/include/votca/xtp/gridbox.h
/usr/include/votca/xtp/gw.h
/usr/include/votca/xtp/gwbse.h
/usr/include/votca/xtp/gwbseengine.h
/usr/include/votca/xtp/gyration.h
/usr/include/votca/xtp/hist.h
/usr/include/votca/xtp/huffmantree.h
/usr/include/votca/xtp/job.h
/usr/include/votca/xtp/jobapplication.h
/usr/include/votca/xtp/jobcalculator.h
/usr/include/votca/xtp/jobcalculatorfactory.h
/usr/include/votca/xtp/jobtopology.h
/usr/include/votca/xtp/kmccalculator.h
/usr/include/votca/xtp/logger.h
/usr/include/votca/xtp/matrixfreeoperator.h
/usr/include/votca/xtp/md2qmengine.h
/usr/include/votca/xtp/mmregion.h
/usr/include/votca/xtp/nbo.h
/usr/include/votca/xtp/newton_rapson.h
/usr/include/votca/xtp/optimiser_costfunction.h
/usr/include/votca/xtp/orbitals.h
/usr/include/votca/xtp/paircalculator.h
/usr/include/votca/xtp/parallelxjobcalc.h
/usr/include/votca/xtp/polarregion.h
/usr/include/votca/xtp/polarsite.h
/usr/include/votca/xtp/populationanalysis.h
/usr/include/votca/xtp/ppm.h
/usr/include/votca/xtp/progressobserver.h
/usr/include/votca/xtp/qmatom.h
/usr/include/votca/xtp/qmcalculator.h
/usr/include/votca/xtp/qmfragment.h
/usr/include/votca/xtp/qmmolecule.h
/usr/include/votca/xtp/qmnblist.h
/usr/include/votca/xtp/qmpackage.h
/usr/include/votca/xtp/qmpackagefactory.h
/usr/include/votca/xtp/qmpair.h
/usr/include/votca/xtp/qmregion.h
/usr/include/votca/xtp/qmstate.h
/usr/include/votca/xtp/qmthread.h
/usr/include/votca/xtp/qmtool.h
/usr/include/votca/xtp/radial_euler_maclaurin_rule.h
/usr/include/votca/xtp/rate_engine.h
/usr/include/votca/xtp/region.h
/usr/include/votca/xtp/regular_grid.h
/usr/include/votca/xtp/rpa.h
/usr/include/votca/xtp/segid.h
/usr/include/votca/xtp/segment.h
/usr/include/votca/xtp/segmentmapper.h
/usr/include/votca/xtp/sigma_base.h
/usr/include/votca/xtp/sigma_exact.h
/usr/include/votca/xtp/sigma_ppm.h
/usr/include/votca/xtp/sphere_lebedev_rule.h
/usr/include/votca/xtp/stateapplication.h
/usr/include/votca/xtp/statefilter_base.h
/usr/include/votca/xtp/statesaver.h
/usr/include/votca/xtp/statetracker.h
/usr/include/votca/xtp/staticregion.h
/usr/include/votca/xtp/staticsite.h
/usr/include/votca/xtp/symmetric_matrix.h
/usr/include/votca/xtp/threecenter.h
/usr/include/votca/xtp/toolfactory.h
/usr/include/votca/xtp/topology.h
/usr/include/votca/xtp/trustregion.h
/usr/include/votca/xtp/vc2index.h
/usr/include/votca/xtp/version.h
/usr/include/votca/xtp/votca_config.h
/usr/include/votca/xtp/vxc_functionals.h
/usr/include/votca/xtp/vxc_grid.h
/usr/include/votca/xtp/vxc_potential.h
/usr/include/votca/xtp/xtpapplication.h
/usr/lib64/libvotca_xtp.so
References
Summary
In this tutorial we learn how to install votca-xtp-devel on CentOS 8 using yum and dnf.