Appion

h1. Start with existing CentOS installation

h2. 3. Download additional software 

h3. 3.1. Install the additional package repositories 

*NOTE*

There are several additional CentOS repositories that you can install.

These repositories provide additional packages, such as patented software (MP3 players),

closed source applications (Flash plugin, Adobe Acrobat Reader)

and lesser used packages (python numpy, Gnu Scientific Library).

But some repositories install packages over other packages,

which can cause problems and conflicts (ATrpms is bad at this). So I recommend only installing

EPEL and RPM Fusion. Read more here:

"CentOS Additional Repositories":http://wiki.centos.org/AdditionalResources/Repositories 

h4. 3.1.1. Extra Packages for Enterprise Linux (EPEL) 

 * http://fedoraproject.org/wiki/EPEL

 * contains a wealth of packages required for appion

.Download repository rpm and install

<pre>

$ sudo rpm -Uvh http://download.fedora.redhat.com/pub/epel/5/`uname -i`/epel-release-5-3.noarch.rpm

</pre>

h4. 3.1.2. RPM Fusion 

 * http://rpmfusion.org/

 * good for mp3 and other patent limited software

.Download repository rpms and install

<pre>

$ sudo rpm -Uhv http://download1.rpmfusion.org/free/el/updates/testing/5/`uname -i`/rpmfusion-free-release-5-0.1.noarch.rpm

$ sudo rpm -Uvh http://download1.rpmfusion.org/nonfree/el/updates/testing/5/`uname -i`/rpmfusion-nonfree-release-5-0.1.noarch.rpm

</pre>

h3. 3.2. Update current packages 

.Update the updater to make life easier

<pre>

$ sudo yum -y update yum

</pre>

.Update all packages

<pre>

$ sudo yum -y update

</pre>

*NOTE*

Download was over 129 MB (in July 2009). If you have a slow internet connection you can setup presto/deltarpms, "see this email]":http://www.linux-archive.org/centos-development/222706-presto-deltarpm.html 

.Install Complete list of additional packages:

 * *python tools*: python-tools python-devel

 * *general applications*: subversion ImageMagick grace gnuplot python-matplotlib

 * *Tilt Picker*: wxPython numpy scipy python-imaging

 * *FindEM*: gcc-gfortran compat-gcc-34-g77

 * *Ace 2*: gcc-objc fftw3-devel gsl-devel

 * *Sinedon*: mysql mysql-server MySQL-python

 * *DBEM*: httpd php php-mysql phpMyAdmin

 * *Xmipp MPI*: gcc-c++ openmpi-devel libtiff-devel

 * *MRC tools*: php-devel gd-devel re2c fftw2-devel php-gd

 * *UCSF Chimera imaging*: xorg-x11-server-Xvfb

<pre>

$ sudo yum -y install \

python-tools python-devel python-matplotlib \

subversion ImageMagick grace gnuplot \

wxPython numpy scipy python-imaging \

gcc-gfortran compat-gcc-34-g77 \

gcc-objc fftw3-devel gsl-devel \

mysql mysql-server MySQL-python \

httpd php php-mysql phpMyAdmin  \

gcc-c++ openmpi-devel libtiff-devel \

php-devel gd-devel re2c fftw2-devel php-gd \

xorg-x11-server-Xvfb

</pre>

If you have an nVidia video card and setup RPM fusion, install the nVidia binary, will speed things up especially for UCSF Chimera

<pre>

$ sudo yum -y install nvidia-x11-drv

</pre>

.Clean up packages to save drive space

<pre>

$ sudo yum clean all

</pre>

.Re-index the hard drive, this will come in handy later

<pre>

$ sudo updatedb

</pre>

.Enable servers on reboot

<pre>

$ sudo /sbin/chkconfig httpd on

</pre>

<pre>

$ sudo /sbin/chkconfig mysqld on

</pre>

You can further configure this with the GUI and turn off unnecessary items

<pre>

$ system-config-services

</pre>

.Reboot the computer

<pre>

$ sudo reboot

</pre>

h2. 4. Download and install Leginon and associated packages 

Refer to [http://code.google.com/p/appion/wiki/AppionInstall_with_Leginon#5._processing_server-side_installation]

----

h2. 5. Compile and setup python (pyappion) programs 

h3. 5.1. Compile FindEM 

 * Goto pyappion/findem folder to make findem.exe

 * Compile the libraries and binary

<pre>

$ make

</pre>

 * Test findem.exe to see if it runs

<pre>

$ make test

</pre>

*WARNING*

Only if the first part fails, you must add the path to libg2c.so library file.

Otherwise skip to next section.

 * locate libg2c.so library file

<pre>

$ ls /usr/lib/gcc/`uname -i`-redhat-linux/3.4.6/libg2c.so

</pre>

<pre>

$ locate libg2c.so

</pre>

 * Edit Makefile with location of libg2c.so

<pre>

$ nano Makefile

</pre>

 * Example: EXLIBS=-L/usr/lib/gcc/i386-redhat-linux/3.4.6/ -lg2c

 * Re-compile

h3. 5.2. Compile Ace2 

*WARNING*

ace2 typically requires fftw 3.2 or greater, but you can remove the FFTW_WISDOM_ONLY flag in Image.m

*NOTE*

64 bit binaries are included with pyappion

 * Goto pyappion/ace2

 * compile the libraries and binary

 * test to see if program runs

<pre>

$ make

$ ./ace2.exe -h

$ ./ace2correct.exe -h

$ mv -v ./ace2*.exe ../bin

</pre>

h3. 5.3. Compile Radermacher module 

 * Goto pyappion/radermacher

 * compile the libraries and binary

<pre>

$ python ./setup.py build

</pre>

 * install module globally

<pre>

$ sudo python ./setup.py install

</pre>

 * test installed module

<pre>

$ python

</pre>

<pre>

>>> import radermacher

>>> <Ctrl-D>

</pre>

h3. 5.4. Test PyAppion 

 * Go into pyappion directory

 * Add leginon to PYTHONPATH if Leginon is built locally

<pre>

$ export PYTHONPATH="$LEGINONPATH:$PYTHONPATH"

</pre>

 * Add pyappion lib to PYTHONPATH

<pre>

$ export PYTHONPATH="/your-complete-path-to-pyappion/lib:$PYTHONPATH"

</pre>

 * Run the test script

<pre>

$ ./check.sh

</pre>

*NOTE*

You can ignore EMAN, MATLAB, and UCSF Chimera errors at this point

----

h2. 6. Setup MySQL (appiondata) databases 

Refer to [http://code.google.com/p/appion/wiki/AppionInstall_with_Leginon#2._Setup_MySQL_databases]

h3. Configure MySQL 

Edit the configuration file:

<pre>

$ sudo nano /etc/my.cnf

</pre>

Add or edit the following lines:

<pre>

query_cache_type = 1

query_cache_size = 100M

query_cache_limit= 100M

</pre>

Restart MySQL

<pre>

$ sudo /sbin/service mysqld restart

</pre>

h3. Configure phpMyAdmin 

Edit the phpMyAdmin config file:

<pre>

$ sudo nano /etc/phpMyAdmin/config.inc.php

</pre> 

and change the following lines:

<pre>

$cfg['Servers'][$i]['AllowRoot']     = FALSE;

</pre>

Edit the phpMyAdmin apache config file:

<pre>

$ sudo nano /etc/httpd/conf.d/phpMyAdmin.conf

</pre>

and change the following lines:

<pre>

<Directory /usr/share/phpMyAdmin/>

   order deny,allow

   deny from all

   allow from 127.0.0.1

   allow from YOUR_IP_ADDRESS

</Directory>

</pre>

----

h2. 7. Install webpages (appionweb)

Refer to [http://code.google.com/p/appion/wiki/AppionInstall_with_Leginon#3._web_server-side_installation]

h3. Install MRC Tools 

h4. Compile MRC tools 

 * Go to your php devel directory and untar the archive

 * If unsure where it is, use info.php to find it under *extension_dir*

<pre>

$ cd /usr/include/php/ext/

$ sudo mkdir mrc

$ sudo chmod 777 mrc

$ sudo chown $USER mrc

</pre>

 * Unpackage MRC Tools from http://emg.nysbc.org/software/mrctools/

<pre>

$ tar zxvf ~/php_mrc.tgz

$ cd mrc/

</pre>

 * Compile and install the MRC module

<pre>

$ phpize

$ ./configure 

$ make

$ sudo make install

</pre>

h4. Configure PHP for MRC Tools 

 * Edit your php configuration file php.ini to add "mrc.so" extension.

<pre>

$ sudo nano /etc/php.d/mrc.ini

</pre>

 * add mrc.so to extensions

<pre>

; Enable mrc extension module

extension=mrc.so

</pre>

 * To test MRC tools, go to this website:

http://emg.nysbc.org/software/mrctools/mrc_so.php

h3. Configure PHP 

 * increase the memory limit, EM images are big 64MB:

<pre>

memory_limit = 256M; Maximum amount of memory

</pre>

 * Turn error display on:

<pre>

display_errors = On

</pre>

<pre>

error_reporting = E_ALL & ~E_NOTICE

</pre>

 * restart the webserver

<pre>

$ sudo /sbin/service httpd restart

</pre>

h3. Install DBEM and project php source 

Please consult the other [http://code.google.com/p/appion/wiki/AppionInstall_with_Leginon#3._web_server-side_installation Install guide]

h3. Configuration 

h4. configure apache 

 * allow REMOTE_HOST lookups in apache

<pre>

$ sudo nano /etc/httpd/conf/httpd.conf

</pre>

 * turn _HostnameLookups_ to On

<pre>

HostnameLookups On

</pre>

 * restart the webserver

<pre>

$ sudo /sbin/service httpd restart

</pre>

h4. configure project_1_2, dbem_1_5_1, and dbem_1_5_1/processing 

Please consult the other [http://code.google.com/p/appion/wiki/AppionInstall_with_Leginon#3._web_server-side_installation Install guide]

h3. Initialize database tables from the web tools 

Please consult [http://code.google.com/p/appion/wiki/AppionInstall_with_Leginon#4._Create_a_test_project_and_processing_database]

h3. Potential problems 

h4. Firewall settings 

You may need to configure your firewall to allow incoming HTTP (port 80) and MySQL (port 3306) traffic:

<pre>

$ system-config-securitylevel

</pre>

h4. Security-enhanced linux 

"Security-enhanced linux (SELinux)":http://en.wikipedia.org/wiki/Security-Enhanced_Linux  may be preventing your files from loading. To fix this run the following command:

<pre>

$ sudo /usr/bin/chcon -R -t httpd_sys_content_t /var/www/html/

</pre>

see "this website":http://docs.fedoraproject.org/selinux-apache-fc3/sn-simple-setup.html  for more details on SELinux

----

h2. 8. Install external packages 

*Please follow individual package installation instruction provided with them*

h3. Compile Xmipp for OpenMPI 

 * For more info, see http://xmipp.cnb.csic.es/twiki/bin/view/Xmipp/InstallingTheSoftware

 * Go into Xmipp source directory

 * Find openmpi directory

<pre>

$ locate libmpi.so

</pre>

<pre>

/usr/lib/openmpi/1.2.7-gcc/lib/libmpi.so

</pre>

 * Setup Xmipp to use openmpi by changing three lines in SConstruct

<pre>

$ cp SConstruct SConstruct.orig

</pre>

<pre>

$ nano SConstruct

</pre>

<pre>

opts.Add('MPI_INCLUDE', 'MPI headers dir ', '/usr/lib/openmpi/1.2.7-gcc/include/')

opts.Add('MPI_LIBDIR', 'MPI libraries dir ', '/usr/lib/openmpi/1.2.7-gcc/lib/')

opts.Add('MPI_LIB', 'MPI library', 'mpi')

</pre>

 * Compile

<pre>

$ sudo mpi-selector --yes --system --set `rpm --qf '%{NAME}-%{VERSION}-gcc-%{ARCH}\n' -q openmpi`

</pre>

<pre>

$ export PATH=$PATH:/usr/lib/openmpi/1.2.7-gcc/bin

</pre>

<pre>

$ ./scons.configure

</pre>

you should see the line:

<pre>

* Checking for MPI ... yes

</pre>

<pre>

$ ./scons.compile

</pre>

= 9. Install a PBS job submission system =

You'll need to install a "Portable Batch System":http://en.wikipedia.org/wiki/Portable_Batch_System for job submission, such as "TORQUE":http://en.wikipedia.org/wiki/TORQUE_Resource_Manager . I know Torque comes with Fedora 10, but not CentOS.

 * An RPM is available in the EPEL testing section

<pre>

$ sudo yum -y --enablerepo=epel-testing install torque

</pre>

or another way to get packages

<pre>

$ wget http://centos.karan.org/el5/extras/testing/`uname -i`/RPMS/torque-2.1.9-1.el5.kb.`uname -i`.rpm

$ sudo yum -y localinstall --nogpgcheck torque-2.1.9-1.el5.kb.`uname -i`.rpm

$ #sudo rpm -Uhv torque-2.1.9-1.el5.kb.`uname -i`.rpm

</pre>

After installing torque it needs to be configured. Sorry, we have no documentation for configuring torque at this time. You may try http://www.clusterresources.com/products/torque-resource-manager.php