Installing ccp4-6.1.2 from source on Ubuntu Linux

From $1

Table of contents
  1. 1. Post Installation tweaks

Since 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
source /home/hari/setup-scripts/sh/ccp4.setup
source /home/hari/setup-scripts/sh/ccp4-others.setup

Post Installation tweaks

1) 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
 to

USE_DBCCP4I_ON_STARTUP    _logical                  0


2) Make sure the tclsh executable in the directory refered to in the ccp4.setup-sh directory has a tclsh executable called tclsh

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