EXPO2014 installation

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Hardware and software environment

        EXPO2014 is built utilizing OpenGL for three-dimensional molecular visualization and the GTK for the graphic user interface. All binary packages are pre-compiled by using the Intel Fortran Composer XE 2013 and the GNU C++ compiler. Expo2014 runs on the most popular operating systems: Windows, Apple's Mac OS and some Linux distributions.

On Windows platforms

Both 32- and 64-bit versions of  EXPO2014 are available for Windows. They were tested on Windows 7, Vista, and XP.

To get the 32-bit or 64-bit version of  EXPO2014 for Windows, download the file expo-020513_install.exe or expo-020513-x64_install.exe from

http://www.ba.ic.cnr.it/content/expo2013

Note that the 32-bit version of  EXPO2014 can also be used on 64-bit Windows. To install the software, double click on the downloaded file and follow the instructions.

The program can be launched by double click on the icon of  EXPO2014


Mac OS X


The Mac OS X version of  EXPO2014 runs on Mac OS X 10.5 (Leopard),  Mac OS X (Snow Leopard), Mac OS X 10.7 (Lion), OS X 10.8 (Mountain Lion) . The program was not tested on on Mac OS X 10.4 (Tiger) or older.


The Mac OS X version is contained in a file .dmg with a disc image format.


1. Download the file .dmg from

http://www.ba.ic.cnr.it/content/expo2013

2. Double-click the .dmg file to mount it. A new Finder window containing the  EXPO2014's icon should appear.

3. Open a new Finder window and then drag the program  EXPO2014 over the "Applications" in the left side of window.



To do cleaning:


In order to add  EXPO2014 to the dock, follow these steps:


EXPO2014 can be launched by Double click on the icon of  EXPO2014.


On Linux platforms

Installing from binary package

Debian and Red Hat RPM packages are available via the download page.

sudo dpkg -i expo_1.13.05_ubuntu12.10_amd64.deb

rpm -i expo-1.13.05.fc18.x86_64.rpm


EXPO2014 can be launched by

1.  Double click the icon of  the  EXPO2014 icon


2.  Type a command in a command line:

expo file.exp file.out

This command will start  EXPO2014 running the input file.exp and generating the output file file.out.

The output file may be omitted:

expo file.exp

or simply

expo

In addition,  Expo2014 can read crystal structures from different types of file (e.g. *.cif). You can supply the name of the crystal structure file on the command line, and Expo2014 will open the file when it starts, e.g.

expo paracetamol_best1.cif  

To run  EXPO2014 simply typing expo, the environmental variable PATH must be set to include absolute path of the directory where  EXPO2014 is placed.


Compiling from source

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.


Autoconf Program which writes configure scripts

automake Program which writes Makefiles

libtool Generic library support script

g++ C++ compiler from the GNU compiler collection

Fortran compiler compliant with Fortran 95 standard: EXPO has been written and tested using the Intel Fortran Compilers (IFORT) but if the IFORT is not  available, GNU Fortran (Gfortran) could be also used.


Expo requires development files for gtk+ library, Mesa OpenGL utility library. The name of the libraries could be slightly different depending on your GNU/Linux distribution. The names of the packages is reported for some tested distribution.



tar xvfz expo_1.13.05.tar.gz
cd expo_1.13.05
sh ./autogen.sh
./configure  --prefix=destination_directory --srcdir=expo_source_directory
make clean
make install


   Executable files will be stored in
       destination_directory/bin
   Be sure that the destination_directory/bin is in the PATH

   For more information read the file INSTALL in the expo directory.


Running the program

Test structures can be found in the folder examples. On Windows platform this folder is typically located in C:\Users\username\share\expo\examples. To  run the program select the test structures by means of the menu File > Load Examples

Click on     on the toolbar to perform the steps of structure solution.

Three test structures are supplied and described in the section Tutorials.


Contact

If you are having trouble during the installation contact corrado.cuocci@ic.cnr.it

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