Installation Instructions

Gromita can be easily installed with the setup.pl installation perl script, which checks if all prerequisites are available and installs gromita.

  1. Install GROMACS and the programs it depends on
  2. Install Perl and Tcl using the system's Package Manager (in most Linux distributions it should be already installed)
  3. Install File::HomeDir using the CPAN module (you may have to install the CPAN module from the Package Manager)
    1. Here is how to check if the CPAN module is installed
      $>perl -e 'use CPAN;'
      if it is installed no error message should appear.
      Switch user to root in order to make perl/tk available to all users and invoke a CPAN shell
      $>su
      Password:
      #>perl -MCPAN -e shell
      (if you are using Ubuntu type instead: $>sudo perl -MCPAN -e shell and type your user password, not the root)
      install File::HomeDir:
      $>cpan>install File::HomeDir
      some installation and testing messages will follow, and when complete type quit to exit the CPAN shell
  4. Install Tk using the Yum Server (if you are using fedora).Just type:
    1. $>sudo yum install perl-Tk
      If you are using Ubuntu type instead:
      $>sudo apt-get install perl-Tk
  5. Extract the compresed file of Gromita (e.g in your desktop)
  6. Open a terminal and cd to the newly created directory
  7. Run the setup script:
  8. Note: In order to make  gromita available to all users  you must install gromita as root
    $>su
    Password:
    #>perl setup.pl
    If you are using Ubuntu, type instead $>sudo perl setup.pl and when prompted enter your password (not the root)

    The setup script will check for the installed perl version, its modules, gromacs path e.t.c. Follow the instructions.
    $>perl setup.pl
    checking perl version...ok
    checking for required perl modules:
    File::HomeDir:  ok
    File::Spec:     ok
    Time::HiRes:    ok
    Carp:   ok
    Tk:     ok
    searching for GROMACS...ok
    counting processors...1
    searching for GROMACS dependences...FFTW: ok

    SETUP SUMMARY
    -----------
    Nothing missing
    Proceed with gromita installation? [y/n] 

  9. You will be then prompted for the gromita installation confirmation.
    Proceed with gromita installation? [y/n] y
    Starting installation
    Installation completed!
  10. Gromita is ready! Just type gromita and it will load