Talys Software Installation on Ubuntu 20.04/22.04

 Talys is a nuclear reaction simulation tool used by Researchers and Scientists. It helps you to calculate the various parameters like Q-value, Cross-section, and various potential parameters. Let's learn, how to install Talys1.96 (the latest version) on Ubuntu20.04 OS.



Make sure, gfortran must be installed because talys works on FORTRAN language. To check the version and availability of gfortran run this command: 

$ gfortran --version

the output will be like this:

GNU Fortran (Ubuntu 9.4.0-1ubuntu1~20.04.1) 9.4.0
Copyright (C) 2019 Free Software Foundation, Inc.
This is free software; see the source for copying conditions.  There is NO
warranty; not even for MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.
 
If not installed already run this command to install: 
$ sudo apt install gfortran

01: Download source file:

Type in the terminal:
$ pwd                       : present working directory
/home/user
Create a new directory for separate installation
$ mkdir software
$ cd software

Go to this website: https://tendl.web.psi.ch/tendl_2021/talys.html and download the latest released version or type as follows in the terminal
$ wget https://tendl.web.psi.ch/tendl_2019/talys/talys.tar

02. Unzip the tar file

$ tar xvf talys.tar

$ cd talys

03. Edit the talys.setup file: only path of the default bin and talys directory.

 $ edit talys.setup
In line 10: bindir=$Thome'/bin'
Create this bin directory if it doesn't exist.
In line 27: datapath=${talysdir}'/home/user/software/talys'
and save & close.
 
04. Now edit machine.f file:

This file is here: /home/user/software/talys/source
$ cd /home/user/software/talys/source
now find machine.f file and edit its 34th line. Give the path of talys directory where other dependencies are stored.
In 34th line: home='/home/user/software/'
Now save & close.

05. Compile the libraries with FORTRAN:
 
Now compile the libraries with gfortran using the following commands
$ gfortran -c *.f
$ gfortran *.o -o talys
It will create an executable file. Now move this file to /home/user/bin directory which can be accessed from any directory.
$ mv talys /home/user/bin
Save path of this executable file of talys to the .bashrc file to run talys from anywhere.
$ nano ~/.bashrc
write this line at the end of file:
export PATH="/home/vimal/bin:$PATH"
$ source ~/.bashrc : it will recompile the bashrc file or close and reopen terminal to recompile.
 
Talys is now installed

06. Verify Talys:

To verify your installation, go into the samples directory, find talys.inp input file.
To evaluate your results run this input file as:
$ talys <talys.inp> talys.out
where talys.out will be your output text file.

Example: How to write input file?
Explanation: Copy and paste (or use $ nano talys.inp command to write and then save and exit) the following information mentioned in { } to the text file and save it as input file with .inp extension.
{
# Equivalent input file

projectile     n
element       al
mass            27
energy        14
}

If Everything has gone right.
Than Congratulations!!
For more details go through the document, it contains all the required information.

References: 

Website: 

Document: 

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