CCP4 Molecular Graphics Documentation
	Build Instructions for CCP4MG on Mac OS X

These instructions explain how to build a single architecture version for a single major release of OS X. Instructions on how to build a Universal binary for PPC/Intel are more complicated, but will be documented shortly.

Compile CCP4 libs with gcc/g++

• Download and compile ccp4 source.

Install Python2.7

• Install Mac Installer Disk Image of Python (2.7.2).

Install some Python modules we need. (Some of these are required only by ccp4i version 2, but I build them in anyway).

• Download setuptools-0.6c11-py2.6.egg

• PYTHONHOME=<path to python2.7 installation> PATH=<path to python2.7 installation>/bin:$PATH sh ~/setuptools-0.6c11-py2.6.egg
  PYTHONHOME=<path to python2.7 installation> PATH=<path to python2.7 installation>/bin:$PATH easy_install lxml
  PYTHONHOME=<path to python2.7 installation> PATH=<path to python2.7 installation>/bin:$PATH easy_install ZODB3
  PYTHONHOME=<path to python2.7 installation> PATH=<path to python2.7 installation>/bin:$PATH easy_install suds
  PYTHONHOME=<path to python2.7 installation> PATH=<path to python2.7 installation>/bin:$PATH easy_install numpy
  export CFLAGS="-I/usr/X11/include -I/usr/X11/include/freetype2 -I/usr/X11/include/libpng12"
  export LDFLAGS="-L/usr/X11/lib"
  ARCHFLAGS="-arch i386 -arch x86_64" PYTHONHOME=<path to python2.7 installation> PATH=<path to python2.7 installation>/bin:$PATH easy_install matplotlib
  
  

Install Qt 4.5

• Get the Qt libraries for Mac from Qt downloads

Install PyQt

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

    cd sip-4.13
    /Library/Frameworks/Python.framework/Versions/2.7/bin/python configure.py --arch=i386 --arch=x86_64
    make
    make install
  
    cd PyQt-mac-gpl-4.8.6
    /Library/Frameworks/Python.framework/Versions/2.7/bin/python configure.py --use-arch=i386 --use-arch=x86_64 --confirm-license
    make
    make install
  

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.

• Developers with cvs access to ccp4 should do:

  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
  PATH=/Library/Frameworks/Python.framework/Versions/2.6/bin/:$PATH ./configure --arch i386
  make
  

• Others should download the source tar ball.

  tar zxvf ccp4mg-1.110.1-src.tar.gz
  cd ccp4mg-1.110.1
  ln -s ccp4_build clipper
  PATH=/Library/Frameworks/Python.framework/Versions/2.6/bin/:$PATH ./configure --arch i386
  make
  

Compile Pixie

• Download libtiff.

  tar zxf tiff-X.Y.Z.tar.gz
  cd tiff-X.Y.Z
  ./configure --prefix=libtiff_install_root
  make
  make install
  

• Download Pixie

• tar zxf Pixie-X.Y.Z.tar.gz
  cd Pixie-X.Y.Z
  /configure  --prefix=ccp4mg_dir/pixie LDFLAGS='-Llibtiff_install_root/lib' CPPFLAGS='-Ilibtiff_install_root/include'
  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 i in *.sl; do
    ../bin/sdrc $i
  done
  

Compile PISA

PISA will have been built when CCP4 was built (it is part of it), unless you did make onlylib.

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

Download the patch: ccp4mg-2.5.1-pisa-patch.tar.gz

cd ccp4_dir/src/pisa/pisa
tar zxvf path to/ccp4mg-2.5.1-pisa-patch.tar.gz
rm -f pisa_interface.o pisa_view.o
make
cp pisa ccp4mg_dirccp4_suite/bin
cp -a sbase ccp4mg_dirccp4_suite/share

Do not do this if you plan to use this copy of PISA in any other way from with CCP4MG. Make a separate copy in that instance.

Install monomer library

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

Run the program

Build release

mkdir ccp4mg_dir/Frameworks
cp -Rp /Library/Frameworks/Qt*.framework ccp4mg_dir/Frameworks
cp -Rp /Developer/Applications/Qt/plugins ccp4mg_dir/QtPlugins
cp -Rp /Library/Frameworks/Python.framework ccp4mg_dir/Frameworks
make distrib