Start with existing CentOS installation¶

• Table of contents
• Start with existing CentOS installation
  • 3 Download additional software
    • 3.1 Install the additional package repositories
      • 3.1.1 Extra Packages for Enterprise Linux (EPEL)
      • 3.1.2 RPM Fusion
    • 3.2 Update current packages
      • .Install Complete list of additional packages:
  • 4 mrc.so PHP Extension Installation
    • Prerequisites
    • Install mrc PHP extension
      • cd to your php devel directory
      • untar the archive
      • Make sure that GD and FFTW 3 devel libraries are installed
      • mrc.so should be in your php extension directory
      • Make sure that GD and FFTW 3 libraries are installed
      • add the following at the end of the extension section
      • add the following lines
      • restart your webserver
  • 5 Compile and setup Appion python programs
    • 5.1 Compile FindEM
    • 5.2 Compile Ace2
    • 5.3 Compile Radermacher module
    • 5.4 Test PyAppion
  • 6 Setup MySQL (appiondata) databases
    • Configure MySQL
    • Configure phpMyAdmin
  • 7 Install webpages (appionweb)
    • Install MRC Tools
      • Compile MRC tools
      • Configure PHP for MRC Tools
    • Configure PHP
    • Install DBEM and project php source
    • Configuration
      • configure apache
      • configure project_1_2, dbem_1_5_1, and dbem_1_5_1/processing
    • Initialize database tables from the web tools
    • Potential problems
      • Firewall settings
      • Security-enhanced linux
  • 8 Install external packages
    • Compile Xmipp for OpenMPI
  • 9 Install a PBS job submission system

3 Download additional software¶

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

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

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

3.1.2 RPM Fusion¶

• http://rpmfusion.org/
• good for mp3 and other patent limited software

.Download repository rpms and install

$ 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

3.2 Update current packages¶

.Update the updater to make life easier

$ sudo yum -y update yum

.Update all packages

$ sudo yum -y update

NOTE
Download was over 129 MB (in July 2009). If you have a slow internet connection you can setup presto/deltarpms, see this email]
You may want to restart your computer when this completes.

.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

$ 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

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

$ sudo yum -y install nvidia-x11-drv

.Clean up packages to save drive space

$ sudo yum clean all

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

$ sudo updatedb

.Enable servers on reboot

$ sudo /sbin/chkconfig httpd on

$ sudo /sbin/chkconfig mysqld on

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

$ system-config-services

.Reboot the computer

$ sudo reboot

---

4 mrc.so PHP Extension Installation¶

Prerequisites¶

Install fft - http://www.fftw.org/ (Already there)
Refer to Processing server-side installation

Install mrc PHP extension¶

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

php_mrc_src_1_5_1.tgz

-- build MRC as a php shared extension --

Download php_mrc_src_[x].tgz from http://emg.nysbc.org/software/mrctools

cd to your php devel directory¶

cd /usr/include/php/ext/
mv [downloads]/php_mrc_src_[x].tgz .

untar the archive¶

tar zxvf php_mrc_src_[x].tgz
cd mrc/

Make sure that GD and FFTW 3 devel libraries are installed¶

phpize
./configure
make
make install

Shared Library Installation

mrc.so should be in your php extension directory¶

ls /usr/lib/php/extensions

mrc.so

Make sure that GD and FFTW 3 libraries are installed¶

• edit your php configuration file php.ini to add "mrc.so" extension.
• You might also increase the memory_limit field. It is set to 8M by default. The more the merrier!
• 4kx4k float MRC image is about 64MB

vi /etc/php.ini

• increase memory
  memory_limit = 256M; Maximum amount of memory
• check extension_dir value
  extension_dir = /usr/lib/php/extensions

[extension section]

add the following at the end of the extension section¶

extension=mrc.so

OR if your linux distro has a /etc/php.d directory:

cd /etc/php.d
vi mrc.ini

add the following lines¶

; Enable mrc extension module
 extension=mrc.so

restart your webserver¶

/etc/init.d/apache2 restart

OR

/etc/init.d/httpd restart

---

5 Compile and setup Appion python programs¶

5.1 Compile FindEM¶

• Goto pyappion/findem folder to make findem.exe

• Compile the libraries and binary

$ make

• Test findem.exe to see if it runs

$ make test

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

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

$ locate libg2c.so

• Edit Makefile with location of libg2c.so

$ nano Makefile

• Example: EXLIBS=-L/usr/lib/gcc/i386-redhat-linux/3.4.6/ -lg2c
• Re-compile

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

$ make
$ ./ace2.exe -h
$ ./ace2correct.exe -h
$ mv -v ./ace2*.exe ../bin

5.3 Compile Radermacher module¶

• Goto pyappion/radermacher

• compile the libraries and binary

$ python ./setup.py build

• install module globally

$ sudo python ./setup.py install

• test installed module

$ python

>>> import radermacher
>>> <Ctrl-D>

5.4 Test PyAppion¶

• Go into pyappion directory
• Add leginon to PYTHONPATH if Leginon is built locally

$ export PYTHONPATH="$LEGINONPATH:$PYTHONPATH" 

• Add pyappion lib to PYTHONPATH

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

• Run the test script

$ ./check.sh

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

---

6 Setup MySQL (appiondata) databases¶

Refer to Setup MySQL databases

Configure MySQL¶

Edit the configuration file:

$ sudo nano /etc/my.cnf

Add or edit the following lines:

query_cache_type = 1
query_cache_size = 100M
query_cache_limit= 100M

Restart MySQL

$ sudo /sbin/service mysqld restart

Configure phpMyAdmin¶

Edit the phpMyAdmin config file:

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

and change the following lines:

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

Edit the phpMyAdmin apache config file:

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

and change the following lines:

<Directory /usr/share/phpMyAdmin/>
   order deny,allow
   deny from all
   allow from 127.0.0.1
   allow from YOUR_IP_ADDRESS
</Directory>

---

7 Install webpages (appionweb)¶

Refer to Web server side installation

Install MRC Tools¶

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

$ cd /usr/include/php/ext/
$ sudo mkdir mrc
$ sudo chmod 777 mrc
$ sudo chown $USER mrc

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

$ tar zxvf ~/php_mrc.tgz
$ cd mrc/

• Compile and install the MRC module

$ phpize
$ ./configure 
$ make
$ sudo make install

Configure PHP for MRC Tools¶

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

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

• add mrc.so to extensions

; Enable mrc extension module
extension=mrc.so

• To test MRC tools, go to this website:
  http://emg.nysbc.org/software/mrctools/mrc_so.php

Configure PHP¶

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

memory_limit = 256M; Maximum amount of memory

• Turn error display on:

display_errors = On

error_reporting = E_ALL & ~E_NOTICE

• restart the webserver

$ sudo /sbin/service httpd restart

Install DBEM and project php source¶

Please consult the other Install guide

Configuration¶

configure apache¶

• allow REMOTE_HOST lookups in apache

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

• turn HostnameLookups to On

HostnameLookups On

• restart the webserver

$ sudo /sbin/service httpd restart

configure project_1_2, dbem_1_5_1, and dbem_1_5_1/processing¶

Please consult the other Install guide

Initialize database tables from the web tools¶

Please consult Create a test project and processing database

Potential problems¶

Firewall settings¶

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

$ system-config-securitylevel

Security-enhanced linux¶

Security-enhanced linux may be preventing your files from loading. To fix this run the following command:

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

see this website for more details on SELinux

---

8 Install external packages¶

Please follow individual package installation instruction provided with them

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

$ locate libmpi.so

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

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

$ cp SConstruct SConstruct.orig

$ nano SConstruct

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')

• Compile

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

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

$ ./scons.configure

you should see the line:

* Checking for MPI ... yes

$ ./scons.compile

9 Install a PBS job submission system¶

You'll need to install a Portable Batch System for job submission, such as TORQUE . I know Torque comes with Fedora 10, but not CentOS.

• An RPM is available in the EPEL testing section

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

or another way to get packages

$ 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

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