Installing the program

Refer to Sir2019Readme.txt file for updated information.

• • Run Sir2019SetUp-XX.exe

• Run the program by clicking on the Sir2019 (or Jav) icon

Compiling from source

• Install build tools and graphic development packages

Most Linux distributions come with the core set of development tools already installed but if not, you will need to install the following packages via the appropriate package manager: cmake,  C++ and Fortran compilers,  Open Babel library, Open MPI library.

Fortran compiler compliant with Fortran 95 standard is required: SIR has been written and tested using the Intel Fortran Compilers (ifort, mpiifort) but if the IFORT is not available, GNU Fortran (gfortran, mpifort) could be also used.

On Ubuntu 20.04 LTS (focal) and subsequent versions all these dependencies can be installed running the  following commands:

sudo apt-get update
sudo apt-get install cmake build-essential gfortran libcurl4-gnutls-dev libgtk-3-dev libgl1-mesa-dev libopenbabel-dev libfftw3-dev libopenmpi-dev

• Get the sources and make the executables
  Download the file sir2024-xx-yy-zz.tar.gz from https://www.ba.ic.cnr.it/softwareic/sir/sir2014-download-2/
  Navigate to the directory where you downloaded the tarball and extract it using the following command:
  

tar xvzf sir2024-xx-yy-zz.tar.gz
cd sir2024-xx-yy-zz

Configure SIR using CMake with the following command:

cmake -B build -S . -DCMAKE_Fortran_COMPILER=mpifort

You can specify the Fortran compiler during configuration using the -DCMAKE_Fortran_COMPILER option. Replace mpifort with the desired compiler name:

• gfortran for the GNU Fortran compiler
• mpiifort for an MPI-enabled Intel Fortran compiler
• ifort (or the specific Intel compiler executable name) for Intel Fortran compilers

Download and install Intel Fortran compilers from the Intel oneAPI website if you choose to use them: https://www.intel.com/content/www/us/en/developer/tools/oneapi/toolkits.html.

Compile SIR using the following command:

cmake --build build -j4

The -j4 flag specifies the number of parallel threads to use for compilation. You can adjust this number according to your system’s capabilities.

Install SIR using the following command:

sudo cmake --install build

This will install SIR into the system’s default installation directory, which is typically /usr/local/ on most Linux systems.

Optional Installation with Custom Prefix:

To install SIR to a non-standard location, use the -DCMAKE_INSTALL_PREFIX option during the CMake configuration step:

cmake -B build -S . -DCMAKE_Fortran_COMPILER=mpifort -DCMAKE_INSTALL_PREFIX=/your/custom/installation/path
cmake --build build -j4
cmake --install build

This will install SIR to the specified /your/custom/installation/path directory.