FEFF8-q on Ubuntu

Last modified by Xwiki VePa on 2024/02/07 07:36

This guide will help the user understand how to compile, install, and use FEFF8-q on their own Ubuntu workstation. If you are using another platform, please refer to the appropriate documentation or contact @alldritt@helsinki_fi for assistance.

Step-by-step guide

Requirements

To compile FEFF8-q, you will need the following software:

  • FORTRAN Compiler (g77 3.4.6)

Instructions

Ubuntu 12.04 and 14.04

  1. Perform a Git checkout of the FEFF8-q program from Bitbucket

    mkdir {HOME}/software
    cd {HOME}/software
    git clone git@bitbucket.org:USERNAME/feff8-q.git

  2. Edit the APT sources list as listed below, then update the APT local repository and install G77.

    sudo nano /etc/sources.list
    ## This line is for installing G77 on Ubuntu 14.04
    deb http://old-releases.ubuntu.com/ubuntu hardy universe
    deb-src http://old-releases.ubuntu.com/ubuntu hardy universe
    deb http://old-releases.ubuntu.com/ubuntu hardy-updates universe
    deb-src http://old-releases.ubuntu.com/ubuntu hardy-updates universe
    sudo apt-get update
    sudo apt-get upgrade
    sudo apt-get install g77 

  3. After installing the G77 compiler, remove the lines added to the APT sources list.

  4. Remove the broken libgcc symlink.

    sudo rm /usr/lib/gcc/x86_64-linux-gnu/3.4.6/libgcc_s.so
    sudo ln -s /lib/x86_64-linux-gnu/libgcc_s.so.1 /usr/lib/gcc/x86_64-linux-gnu/3.4.6/libgcc_s.so
    export LIBRARY_PATH=/usr/lib/x86_64-linux-gnu

  5. Compile FEFF8-q

    cd {HOME}/software/feff8-q
    make

  6. FEFF8-q will now compile. There will be various warning messages about unused variables, but these are safe to ignore.

Running FEFF8-q

There are currently no installation routines with FEFF8-q. All usable binaries can be found in the LIB folder.

To run a binary:

  1. In a terminal, go to the LIB directory:

    cd {HOME}/software/feff8-q/LIB
    ./binary_filename

Tips & Warnings

Command

Status

make
make src

1

make mono

2

make mpi

3

make srcmpi

4

  • make src is currently broken due to some missing license.h files and some incorrect directory locations
  • make mono is currently broken due to some missing license.h files
  • make mpi is currently broken due to incorrect references to mpif.h and a missing file (lmppar.a)
  • make srcmpi is currently broken due to some missing license.h files and some incorrect directory locations

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