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Installing ccp4-6.1.2 from source on Ubuntu LinuxFrom $1Table of contentsSince we want to attempt a 64 bit installation , download the "Generic source only" from the ccp4 site Once you do that make a new directory where you want the un-tarred ( un-acrhived ) files to go : Warning the tar archive dumps its contents into the current working directory , so make sure you create a directory and move the archive into it before you expand the archive. Change into that directory and run the install.sh . In my case ccp4 asked me if I want to install into the directory previously referred to by my ccp4-setup.sh . If you say yes ccp4-6.1.2 installs itself into that directory and compiles the entire program from scratch Here is a screen dump of the process:
hari@charlie:/rawdata12/ccp4-6.1.2$ tar -xvf CCP4-Oth.tar
README
install.sh
manifest.sh
ccp4-6.1.2-core-src.tar.gz
phaser-2.1.4-cctbx-src.tar.gz
chooch.tar.gz
BalbesDB.tar.gz
tcltkplusplus.tar.gz
Python.tar.gz
clustalw.tar.gz
fasta.tar.gz
graphviz.tar.gz
hari@charlie:/rawdata12/ccp4-6.1.2$ more README
CCP4 6.1 Release
================
The CCP4 download pages will generate a tar file customised
to your platform and choice of packages. Un-tar this file with
tar xvf <tar-file>
You will get these 3 files:
README ...this file
install.sh ...a shell script for installation
manifest.sh ...contains details of packages chosen
and depending on your choice of packages, one or more of:
packages.tar.gz ...containing CCP4 packages (if chosen)
tools.tar.gz ...containing external tools (if chosen)
ccp4mg-*.tar.gz ...containing CCP4mg (if chosen)
The script install.sh will build and/or install automatically all
packages you have downloaded. Automation is achieved by making
some assumptions and decisions. If you find problems, or wish to
do something "non-standard", then the traditional build is still
available - see "Manual installation" below.
Automated installation
======================
Run the install.sh script. You may be asked:
"We have detected an existing installation at /xtal/ccp4
Would you like to use install there? (yes/no):"
Answer "yes" to update your existing installation (for example,
when updating individual packages), or "no" to create a fresh
CCP4 installation. You will then be asked:
"Do you want to keep all default parameters for installation (yes/no):"
If you answer "yes" (the default) then the packages will be built
(if necessary) and installed in subdirectories of the current working
directory, with different subdirectories for CCP4, ccp4mg, Coot and
Chooch. Note that some packages are amalgamated, e.g. Phaser exists
within the CCP4 subdirectory.
For each package, the stdout is redirected to a file <package>.log
while the stderr is redirected to a file <package>e.log
The script will also generate a "setup-scripts" subdirectory that
contains set-up files for the various packages and for different
shells, e.g. "setup-scripts/sh/ccp4.setup". You should be able to source
these set-up files, and go. All these set-up files are specific to
the directory where the packages were installed: if you later
move the packages to a different location, you will need to
manually edit the set-up files.
If you answer "no" to keeping the default parameters, then you
will be ask a series of questions to fine-tune the installation,
including where to install the various components and various
configure options.
Manual installation
===================
If you don't want to use the install.sh script, then you can manually
unzip and untar the file packages.tar.gz (and tools.tar.gz if
relevant). This will unpack the packages into subdirectories (as
above). You can then build and/or install each package in the
traditional way.
Manual installation will be necessary if you want to build a package
with options not covered by the automated installation. In general,
the packages can be built in any order. However, some of the builds
require python, so if you do not yet have python, you should build it
first.
Some details on packages included
=================================
* Phaser/cctbx executables
For most systems, this includes solely the phaser executable, for
hari@charlie:/rawdata12/ccp4-6.1.2$ ./install.sh
#############################
# INSTALLER FOR CCP4 v6.1.2 #
#############################
Installing the following packages:
CCP4 source code
PHASER/CCTBX source code
BALBES database
CHOOCH source code
Tcl/Tk/++ source code
Python source code
ClustalW source code
Fasta source code
GraphViz source code
We have detected an existing installation at /home/hari
Would you like to use install there? (yes/no):
Currently [yes]
yes
Do you want to keep all default parameters for installation (yes/no):
Currently [yes]
NB: By default, the crystallographic packages will be extracted and built here.
Copying ccp4 archive to installation directory ...
Copying balbes database archive to installation directory ...
Copying chooch archive to installation directory ...
Copying python archive to installation directory ...
Copying tcl/tk/blt/incrTcl archive to installation directory ...
Copying clustalw2 archive to installation directory ...
Copying fasta archive to installation directory ...
Copying graphviz archive to installation directory ...
We are now ready to install :
CCP4 source code
PHASER/CCTBX source code
BALBES database
CHOOCH source code
Tcl/Tk++ source code
Python source code
ClustalW source code
Fasta source code
GraphViz source code
NB: The remaining usually does not require your intervention.
If it is your first installation of CCP4 you might be prompted to agree licence first.
The installation will take some time, so you'd better grab a cup of coffee and relax.
Press any key to start.
unpacking ccp4 core source...
unpacking phaser/cctbx source...
unpacking balbes database...
unpacking chooch source...
#######################
# PYTHON Installation #
#######################
Configuring Python 2.4.5 installation...
Building Python 2.4.5...
Installing Python 2.4.5...
#########################
# TclTk++ Installation #
#########################
Compiling and installing Tcl-Tk++ ...
#########################
# ClustalW Installation #
#########################
Configuring clustalw 2.0.9 installation ...
Compiling clustalw 2.0.9 ...
Installing clustalw 2.0.9 ...
######################
# Fasta Installation #
######################
Compiling and installing fasta 35.4.1 ...
#########################
# GraphViz Installation #
#########################
Configuring graphviz 2.20.2 installation ...
Compiling graphviz 2.20.2 ...
Installing graphviz 2.20.2 ...
#######################
# CHOOCH Installation #
#######################
Chooch will be installed in /home/hari/ccp4-6.1.2/
Chooch support libraries will be installed in /home/hari/chooch
Configuring gsl 1.4 installation...
Building gsl 1.4...
Installing gsl 1.4...
Configuring cgraph installation...
Building cgraph 2.04...
Installing cgraph 2.04...
Configuring Chooch installation...
Building chooch ...
Installing chooch ...
######################
# CCP4 Installation #
######################
Creating ccp4.setup file...
Configuring CCP4 installation...
Building CCP4 (this can take from couple of hours to several hours depending on your system )..
Installing CCP4...
The installation of CCP4 is now completed
Configuration files has been copied in /home/hari/setup-scripts/
To setup CCP4 environment, source the file setup-scripts/<yourshell>/ccp4.setup
To be able to use other CCP4 software or tools from anywhere, source the file setup-scripts/<yourshell>/ccp4-others.setup
Thank you for using CCP4 packages.
Do you want to have your environment set up through
your terminal resource file, so each time you open a terminal
it is ready to go (y/n):
Currently [y]
I answered "Yes" to have the install script setup my environment. Accordingly it updated my $HOME/.bashrc so that I was using the new ccp4-6.1.2 using the following lines Post Installation tweaks1) After you install as indicated above, you may notice that the ccp4i gui has forgotten the location of all your project directories , although it still remembers the names of the projects. To fix this I had to copy over the configure.def from my previous installation to the new installation cp $HOME/ccp4-6.0.99e/ccp4i/etc/unix/configure.def $HOME/ccp4-6.1.2/ccp4i/etc/unix After that I had to change the line in the new configure.def as indicated below ( solution got from this post on ccp4bb) USE_DBCCP4I_ON_STARTUP _logical 1 USE_DBCCP4I_ON_STARTUP _logical 0
export CCP4I_TCLTK=/home/hari/tcltk++/bin In My case I had to symlink the executable called tclsh ln -s tclsh8.4 tclsh 3) I removed the status.def in my $HOME/.CCP4/unix directory to ensure that everything was in sync |