How To Install votca-xtp on CentOS 8
Introduction
In this tutorial we learn how to install votca-xtp on CentOS 8.
What is votca-xtp
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 the excitation and charge properties module of VOTCA package.
We can use yum or dnf to install votca-xtp on CentOS 8. In this tutorial we discuss both methods but you only need to choose one of method to install votca-xtp.
Install votca-xtp 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 using dnf by running the following command:
sudo dnf -y install votca-xtp
Install votca-xtp 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 using yum by running the following command:
sudo yum -y install votca-xtp
How To Uninstall votca-xtp on CentOS 8
To uninstall only the votca-xtp package we can use the following command:
sudo dnf remove votca-xtp
votca-xtp Package Contents on CentOS 8
/usr/bin/xtp_basisset
/usr/bin/xtp_dump
/usr/bin/xtp_makeauxbasis
/usr/bin/xtp_map
/usr/bin/xtp_parallel
/usr/bin/xtp_run
/usr/bin/xtp_tools
/usr/bin/xtp_update_mapfile
/usr/lib/.build-id
/usr/lib/.build-id/41
/usr/lib/.build-id/41/ff309f70f47ff97f7792262bb91da1176bbeed
/usr/lib/.build-id/4d
/usr/lib/.build-id/4d/477a4c44f835382f2787779accfba86802b6a3
/usr/lib/.build-id/6d
/usr/lib/.build-id/6d/0aac41125648f8f4490ced20acac814b670e4b
/usr/lib/.build-id/79
/usr/lib/.build-id/79/36cc3e08198de006ae24c50c1859e2974e3f41
/usr/lib/.build-id/8e
/usr/lib/.build-id/8e/529c755bf4698cce10b365a0d12e7378c1ba16
/usr/share/doc/votca-xtp
/usr/share/doc/votca-xtp/CHANGELOG.md
/usr/share/doc/votca-xtp/NOTICE
/usr/share/doc/votca-xtp/README.md
References
Summary
In this tutorial we learn how to install votca-xtp on CentOS 8 using yum and dnf.