How To Install votca-csg-common on CentOS 8

votca-csg-common is Architecture independent data files for VOTCA CSG

Introduction

In this tutorial we learn how to install votca-csg-common on CentOS 8.

What is `votca-csg-common`

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 architecture independent data files for the VOTCA coarse-graining engine.

We can use yum or dnf to install votca-csg-common on CentOS 8. In this tutorial we discuss both methods but you only need to choose one of method to install votca-csg-common.

Install votca-csg-common 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-csg-common using dnf by running the following command:

sudo dnf -y install votca-csg-common

Install votca-csg-common 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-csg-common using yum by running the following command:

sudo yum -y install votca-csg-common

How To Uninstall votca-csg-common on CentOS 8

To uninstall only the votca-csg-common package we can use the following command:

sudo dnf remove votca-csg-common

votca-csg-common Package Contents on CentOS 8

/usr/share/licenses/votca-csg-common
/usr/share/licenses/votca-csg-common/LICENSE
/usr/share/votca
/usr/share/votca/rc
/usr/share/votca/scripts
/usr/share/votca/scripts/inverse
/usr/share/votca/scripts/inverse/CsgFunctions.pm
/usr/share/votca/scripts/inverse/CsgSimplex.pm
/usr/share/votca/scripts/inverse/add_POT.pl
/usr/share/votca/scripts/inverse/add_pot_generic.sh
/usr/share/votca/scripts/inverse/calc_density_generic.sh
/usr/share/votca/scripts/inverse/calc_kbint.sh
/usr/share/votca/scripts/inverse/calc_pressure_gromacs.sh
/usr/share/votca/scripts/inverse/calc_pressure_lammps.sh
/usr/share/votca/scripts/inverse/calc_rdf_generic.sh
/usr/share/votca/scripts/inverse/calc_target_rdf_generic.sh
/usr/share/votca/scripts/inverse/clean_generic.sh
/usr/share/votca/scripts/inverse/cma_processor.py
/usr/share/votca/scripts/inverse/convergence_check_default.sh
/usr/share/votca/scripts/inverse/csg_table
/usr/share/votca/scripts/inverse/dist_adjust.pl
/usr/share/votca/scripts/inverse/dist_boltzmann_invert.pl
/usr/share/votca/scripts/inverse/dummy.sh
/usr/share/votca/scripts/inverse/functions_common.sh
/usr/share/votca/scripts/inverse/functions_dlpoly.sh
/usr/share/votca/scripts/inverse/functions_genericsim.sh
/usr/share/votca/scripts/inverse/functions_gromacs.sh
/usr/share/votca/scripts/inverse/imc_stat_generic.sh
/usr/share/votca/scripts/inverse/initialize_step_generic.sh
/usr/share/votca/scripts/inverse/initialize_step_genericsim.sh
/usr/share/votca/scripts/inverse/initialize_step_optimizer.sh
/usr/share/votca/scripts/inverse/initialize_step_re.sh
/usr/share/votca/scripts/inverse/inverse.sh
/usr/share/votca/scripts/inverse/kbibi_ramp_correction.pl
/usr/share/votca/scripts/inverse/lj_126.pl
/usr/share/votca/scripts/inverse/merge_tables.pl
/usr/share/votca/scripts/inverse/optimizer_parameters_to_potential.sh
/usr/share/votca/scripts/inverse/optimizer_prepare_state.sh
/usr/share/votca/scripts/inverse/optimizer_state_to_mapping.sh
/usr/share/votca/scripts/inverse/optimizer_state_to_potentials.sh
/usr/share/votca/scripts/inverse/optimizer_target_density.sh
/usr/share/votca/scripts/inverse/optimizer_target_pressure.sh
/usr/share/votca/scripts/inverse/optimizer_target_rdf.sh
/usr/share/votca/scripts/inverse/post_add.sh
/usr/share/votca/scripts/inverse/post_add_single.sh
/usr/share/votca/scripts/inverse/post_update_generic.sh
/usr/share/votca/scripts/inverse/post_update_generic_single.sh
/usr/share/votca/scripts/inverse/post_update_re_single.sh
/usr/share/votca/scripts/inverse/postadd_acc_convergence.sh
/usr/share/votca/scripts/inverse/postadd_average.sh
/usr/share/votca/scripts/inverse/postadd_compress.sh
/usr/share/votca/scripts/inverse/postadd_convergence.sh
/usr/share/votca/scripts/inverse/postadd_copyback.sh
/usr/share/votca/scripts/inverse/postadd_dummy.sh
/usr/share/votca/scripts/inverse/postadd_overwrite.sh
/usr/share/votca/scripts/inverse/postadd_plot.sh
/usr/share/votca/scripts/inverse/postadd_shift.sh
/usr/share/votca/scripts/inverse/postupd_addlj.sh
/usr/share/votca/scripts/inverse/postupd_cibi_correction.sh
/usr/share/votca/scripts/inverse/postupd_extrapolate.sh
/usr/share/votca/scripts/inverse/postupd_kbibi_correction.sh
/usr/share/votca/scripts/inverse/postupd_pressure.sh
/usr/share/votca/scripts/inverse/postupd_scale.sh
/usr/share/votca/scripts/inverse/postupd_smooth.sh
/usr/share/votca/scripts/inverse/postupd_splinesmooth.sh
/usr/share/votca/scripts/inverse/potential_extrapolate.sh
/usr/share/votca/scripts/inverse/potential_shift.pl
/usr/share/votca/scripts/inverse/potential_to_dlpoly.sh
/usr/share/votca/scripts/inverse/potential_to_generic.sh
/usr/share/votca/scripts/inverse/potential_to_gromacs.sh
/usr/share/votca/scripts/inverse/potential_to_lammps.sh
/usr/share/votca/scripts/inverse/potentials_to_dlpoly.sh
/usr/share/votca/scripts/inverse/potentials_to_generic.sh
/usr/share/votca/scripts/inverse/pre_update_re.sh
/usr/share/votca/scripts/inverse/prepare_generic.sh
/usr/share/votca/scripts/inverse/prepare_generic_single.sh
/usr/share/votca/scripts/inverse/prepare_imc.sh
/usr/share/votca/scripts/inverse/prepare_optimizer.sh
/usr/share/votca/scripts/inverse/prepare_optimizer_single.sh
/usr/share/votca/scripts/inverse/prepare_re.sh
/usr/share/votca/scripts/inverse/pressure_cor_simple.pl
/usr/share/votca/scripts/inverse/pressure_cor_wjk.pl
/usr/share/votca/scripts/inverse/resample_target.sh
/usr/share/votca/scripts/inverse/run_genericsim.sh
/usr/share/votca/scripts/inverse/run_gromacs.sh
/usr/share/votca/scripts/inverse/simplex_downhill_processor.pl
/usr/share/votca/scripts/inverse/skeleton.pl
/usr/share/votca/scripts/inverse/skeleton.sh
/usr/share/votca/scripts/inverse/start_framework.sh
/usr/share/votca/scripts/inverse/table_average.sh
/usr/share/votca/scripts/inverse/table_change_flag.sh
/usr/share/votca/scripts/inverse/table_combine.pl
/usr/share/votca/scripts/inverse/table_dummy.sh
/usr/share/votca/scripts/inverse/table_extrapolate.pl
/usr/share/votca/scripts/inverse/table_functional.sh
/usr/share/votca/scripts/inverse/table_get_value.pl
/usr/share/votca/scripts/inverse/table_integrate.pl
/usr/share/votca/scripts/inverse/table_linearop.pl
/usr/share/votca/scripts/inverse/table_scale.pl
/usr/share/votca/scripts/inverse/table_smooth.pl
/usr/share/votca/scripts/inverse/table_switch_border.pl
/usr/share/votca/scripts/inverse/table_to_tab.pl
/usr/share/votca/scripts/inverse/table_to_xvg.pl
/usr/share/votca/scripts/inverse/tables_jackknife.pl
/usr/share/votca/scripts/inverse/tag_file.sh
/usr/share/votca/scripts/inverse/update_ibi.sh
/usr/share/votca/scripts/inverse/update_ibi_pot.pl
/usr/share/votca/scripts/inverse/update_ibi_single.sh
/usr/share/votca/scripts/inverse/update_imc.sh
/usr/share/votca/scripts/inverse/update_imc_single.sh
/usr/share/votca/scripts/inverse/update_optimizer.sh
/usr/share/votca/scripts/inverse/update_optimizer_single.sh
/usr/share/votca/scripts/inverse/update_re.sh
/usr/share/votca/template
/usr/share/votca/template/CMakeLists.txt
/usr/share/votca/template/template_serial.cc
/usr/share/votca/template/template_threaded.cc
/usr/share/votca/xml
/usr/share/votca/xml/csg_defaults.xml
/usr/share/votca/xml/mapping.xml
/usr/share/votca/xml/topol.xml

References

votca-csg-common website

Summary

In this tutorial we learn how to install votca-csg-common on CentOS 8 using yum and dnf.