Getting and Installing Ifeffit

Where can I get Ifeffit?



Where can I get FEFF?

FEFF6L, a free version of Feff6 suitable for almost all EXAFS calculations, is included with IFEFFIT.

Later versions of FEFF have focussed on calculating XANES, and EXAFS calculations have not been greatly improved. That is, for EXAFS analysis, the version of Feff that comes with IFEFFIT is almost always as a good as the later versions.

For XANES calculations, however, you'll want to try Feff8, the latest version of FEFF. This can be obtained under certain licensing restrictions at the Feff Home Page:


Do I need FEFF to run IFEFFIT?

Strictly speaking, No. That is, IFEFFIT will run without FEFF. But you will need a version of FEFF to do EXAFS refinements.

Feff6L, the free version of Feff6 comes with IFEFFIT, can do all the EXAFS calculations needed to analyze EXAFS data with IFEFFIT.


What computer systems will IFEFFIT run on?

Currently, IFEFFIT run on Unix systems, including Linux, Win32 systems, and Mac OS X.

For Unix systems:

For Windows:

For Mac OS X 10.3 and higher:


PGPLOT issues

Do I need PGPLOT to run IFEFFIT?

It's possible to build IFEFFIT without PGPLOT, but it is not recommended. You will need PGPLOT to do graphics with IFEFFIT,

The pre-packaged installers for Windows and Mac OS X include the PGPLOT graphics.


How do I install PGPLOT?

The standard instructions for installing PGPLOT are not that easy to follow, but the procedure is not too difficult either.

For Linux systems, an easy way to install PGPLOT is to run the PGPLOT_install script that comes with IFEFFIT. This script will download, configure, and make the PGPLOT library for you. See the file README.PGPLOT in the IFEFFIT distribution for details.

For Win32 systems, use the IFEFFIT binaries, which already include PGPLOT.

For MacOS X, the Fink system supplies a PGPLOT package. This is not the version used to build IFEFFIT for the pre-packaged installer, but if you're interested in building IFEFFIT on a Mac, this is a fine version to use.


Installing PGPLOT on a 64 bit linux machine

There are two problems on installation of PGPLOT on 64 bits machines. One related to GIDRIV card of PGPLOT and another related to the fact that PGPLOT was build for the older gnu fortran g77 and it bugs on the new one gfortran. The instructions below worked on Opensuse 11 running at a Turion x2 64 bits processor.

1- Download and unpack ifeffit.

2- Download pgplot tar file and put it into ifeffit folder.

3- Download the Cluster Science Analysis System(qsas) tar file from, untar only gidriv_f95.f file (at "qsas-2.2dist/src/Utilities/qpgplot" folder inside tar file) to the folder: (ifeffit folder)/pgplot_extras

4- Delete gidriv.f on pgplot_extras folder and rename gidriv_f95.f to gidriv.f.

5- Unpack pgplot tar folder, edit the makemake file as below and pack it again.


6- Edit the pgplot_install file on ifeffit folder.

7- run ./PGPLOT_install as root on ifeffit folder.

Other links that may help:

If any problem appears, please report it on ifeffit mailing list.


Windows issues

How can I install IFEFFIT on Windows 98 and Windows ME?

IFEFFIT can be used with Windows 98, Me (and possibly 95 -- not verified), but you may need to make a small change to your system, and take care during the installation. If you see error messages like

Out of environment space


Too many parameters - Files\Ifeffit Bad command or file name

or, if you click on the icons and a window pops up and immediately goes away, then these steps might help:

  1. add this line to C:\config.sys using Notepad, Wordpad or a similar text editor:

        SHELL=C:\COMMAND.COM /E:4096 /P
  1. Install the IFEFFIT using the install program, but when asked for the installation directory, Do not use C:\Program Files\Ifeffit. Instead, install to C:\Ifeffit

If you experience troubles, here are some trouble-shooting hints:


How do I work with the Windows Updater?

See IfeffitOnWindows/WinUpdater. This is such a common question, that it deserves its own page!!!


How do I use the Windows Updater with an internet proxy?

Some people have had trouble using the updater on a LAN that uses an internet proxy. For example, at Brookhaven you must configure your computer correctly to allow the updater to act through Brookhaven's proxy. See IfeffitOnWindows/WinUpdaterProxy.


Why does the Ifeffit installer for Windows fail with the message "The setup files are corrupted."?

This is most likely due to the installer being changed in some way during downloading.

We use a product called Inno Setup to make the installer file. There is an entry from their FAQ describing this problem:

There is a thread from the Ifeffit mailing list where this problem was discussed:


Can I install Ifeffit+friends on Windows Vista

Update for 1.2.10: Yes. The Windows installer for Ifeffit 1.2.10 works for Vista. Older versions ran OK, but had some problems with installation, due to administrative privileges.


Macintosh issues

How can I install Ifeffit, horae, and friends on a Macintosh running Mac OS X 10.3 and below?

Please see Ifeffit on Mac OS X


The Mac OS X version is unix right? How can I upgrade between installer updates?

Please see Ifeffit on Mac OS X


How do I install an Apple Development Environment (c,c++, g77, Objective C)

Please see Ifeffit on Mac OS X


Installation of ifeffit and horae on Mac OS X 10.4 (Tiger)

Please see Ifeffit on Mac OS X


Installation of ifeffit and horae on an Intel Mac

Information coming soon...


Debian/Ubuntu issues

Are there packages already built for Debian and Ubuntu?

Yes! Carlo Segre does yeoman's duty keeping packages for Ifeffit and friends and all their pre-requisites up to date.

If you want to use these packages, you need to add Carlo's repository to your /etc/apt/sources.list or add them through your system's package manager.

Choose the appropriate line based on your Debian or Ubuntu (including its offshoots Kubuntu, Xubuntu, etc.) distribution

---- Debian (choose your distribution)
deb etch main contrib non-free
deb lenny main contrib non-free

---- Ubuntu (choose your distribution)
deb edgy main contrib non-free
deb feisty main contrib non-free
deb gutsy main contrib non-free
deb hardy main contrib non-free
deb intrepid main contrib non-free

The next time you fire up your package manager, you should be able to search for ifeffit and find it! Neat-o!


Source code issues

Installing Athena/Artemis/Hephaestus from source fails with a warning about not locating Chemistry::Elements

This can happen under certain situations when the horae source is rebuilt in a directory tree which had been used once before to build the package. There are two work-arounds, both of which are fairly simple.

  1. Type this command from the top of the source tree
    rm -f `find . -name pm_to_blib`
    • Note that those are backticks around the find command. Once done, try again to rebuild horae.

  2. Build Chemistry::Elements by hand, either by downloading it from CPAN or by descending into the 0CPAN/Chemistry-Elements-1.01 directory of the source tree and doing

    ~> perl Makefile.PL
    ~> make
    ~> make install
    • in that directory. Once done, try again to rebuild horae.


How do I add a new FAQ entry?

Edit this section, use copy and paste! Use a format like this, using the same level of header (i.e. the same number of = signs) and keeping the link back to the contents at the top of the page:

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FAQ/Installing_Ifeffit (last edited 2009-10-09 19:46:45 by localhost)