CCP4 Molecular Graphics Documentation
	Build Instructions for CCP4MG on Linux

Compile CCP4 libs with gcc/g++

• Download and compile ccp4 source. Pass --non_shared to configure.

Install Python2.6

• Install Python. You probably do not want to overwrite your OS supplied python, so install somewhere different from /usr/

Compile Qt 4.5

• Download and extract the following (or later version) qt-all-opensource-src-4.5.0.tar.bz2
• In an shell:

  cd qt-all-opensource-src-4.5.0/
  ./configure
  make
  make install
  

  This will install in /usr/local/Trolltech/Qt-4.5.0 unless you told configure otherwise.

Install PyQt

• Download latest development snapshots of sip and PyQt.
• At a bash (or other Bourne type shell) prompt (environment variable setup will be different for csh type shells).

    QTDIR=/usr/local/Trolltech/Qt-4.5.0
    PATH=$QTDIR/bin:$PATH
    export QTDIR
    cd sip-4.8-snapshot-20090311
    <path to python2.6 installation>/bin/python configure.py
  
    cd PyQt-win-gpl-4.5-snapshot-20090311
    <path to python2.6 installation>/bin/python configure.py
    make
    make install
  

Install some auxiliary stuff

yum install giflib giflib-devel libpng libpng-devel libtiff libtiff-devel libjpeg libjpeg-devel zlib zlib-devel

Compile MG

The setting of environment variables on command line assumes Bourne type shell. You will need to do some setenv commands for csh type shells.

mkdir ccp4mg_dir
cd ccp4mg_dir
CVS_RSH=ssh CVSROOT=mgdev@cvs.ccp4.ac.uk:/public/ccp4mg/MG_CVS cvs -z9 co -r Rel_2_B .
ln -s ccp4_build clipper
QTDIR=/usr/local/Trolltech/Qt-4.5.0
export QTDIR
PATH=<path to python2.6 installation>/bin:$QTDIR/bin:$PATH ./configure 
make

Compile Pixie

• Download Pixie

• tar zxf Pixie-X.Y.Z.tar.gz
  cd Pixie-X.Y.Z
  ./configure --prefix=ccp4mg_dir/pixie --enable-selfcontained
  make
  make install
  

  This compilation takes a long time.
• Pixie packaging seems a little broken: The supplied shaders are in CR/LF (Dos) format, yet the rndr executable really wants them to be in CR (Unix) format. We have to fix them (Bourne shell instructions):

  cd ccp4mg_dir/pixie/shaders
  LD_LIBRARY_PATH=$PWD/../lib 
  export LD_LIBRARY_PATH
  for in *.sl; do
    ../bin/sdrc $i
  done
  

Compile PISA

In preparation.

PISA will have been built when CCP4 was built (it is part of it).

cp ccp4_dir/src/pisa/pisa ccp4mg_dirccp4_suite/bin

But we are still having to make some patches which we hope to agree with the PISA author Eugene Krissinel.

Install monomer library

cp -a ccp4_dir/lib/data/monomers/ ccp4mg_dir/data/monomer_library

Run the program

Build release

cp /usr/local/Trolltech/Qt-4.5.0/lib/libQt*.so* ccp4mg_dir/lib
cp -a /usr/local/Trolltech/Qt-4.5.0/plugins ccp4mg_dir/QtPlugins
cp /usr/lib/lib{png,gif,ungif,tiff,jpeg,z}.so.* ccp4mg_dir/lib
cp -a <path to python2.6 installation> ccp4mg_dir/pythondist
make distrib