Install the libperlxray modules

libperlxray is a collection of perl modules used by both Horae and Demeter. These include:

Ifeffit

• SWIG-based interface to the Ifeffit library

Xray::Absorption

• Class methods for uniform access to several atomic x-ray absorption databases (Elam, McMaster, Chantler, Cromer-Liberman, Henke, Shaltout, and -- coming one of these days -- xcom)

Xray::Scattering

• Class methods for uniform access to two atomic x-ray scattering databases, Crommer-Mann and Waasmaier-Kirfel

Chemistry::Formula

• Parse strings as chemical formulas

Install the prerequisites for the libperlxray modules

Some of the prerequisites will require compiling C code. You will need to have a C compiler installed on your computer.

With root access

• Run the install_prereqs script as root:

     su root   # <--- enter root password
     ./install_prereqs

  or as a sudoer:

     sudo ./install_prereqs

  Occasionally, the process will stop to ask you a question. Answer yes to all such questions. This step may be a bit time-consuming, but once done it does not need to be re-done when you upgrade any of my software.

  The install_prereqs script has several options, including a way of dealing with a proxy server. Here is the documentation.

  In all remaining examples, I assume you are on a system which uses sudo rather than requiring you to become root. If you are on a root system (SUSE or Red Hat, for example, then become root and do not type sudo in the following instructions.

Install to your own diskspace

• You should have already installed local::lib as described above.

  At the command line, start the cpan utility by entering cpan

  Once the cpan prompt comes up, enter this command

  force install Bundle::LibPerlXrayBundle

  This will be rather time consuming. Answer yes to any questions that you are asked.

Build and install libperlxray

Installing with root access

• You can use the build script in the top-level directory to build and compile each of the parts of libperlxray.

     sudo ./build

  This is just a simple shell script that cds into each of the subdirectories and runs the build sequence.

  If, for some reason you need to do so, you can cd into each subdirectory, and build each libperlxray component in turn using these commands:

     perl Build.PL
     ./Build
     sudo ./Build install

  except for Ifeffit, which is built like this:

     perl Makefile.PL
     make
     sudo make install

Installing to your own diskspace

• You can use the build script in the top-level directory to build and compile each of the parts of libperlxray.

     ./build

  This is just a simple shell script that cds into each of the subdirectories and runs the build sequence.

  If, for some reason you need to do so, you can cd into each subdirectory, and build each libperlxray component in turn using these commands:

     perl Build.PL
     ./Build
     ./Build install

  except for Ifeffit, which is built like this:

     perl Makefile.PL
     make
     make install

  Note that this procedure is identical, except that you do not need to use sudo.

To successfully install the Ifeffit module, you need a C compiler.

Ifeffit's Build.PL file is not written yet. Still using Makefile.PL

Once you have installed libperlxray you can begin using the Vulcan server, an XML-RPC based web service exposing the functionality of Xray::Absorption and Chemistry::Formula via the web. This can be found in the server/ subdirectory. The server has thorough documentation embedded in the file.