Joint Research Group Macromolecular Crystallography

Installation instructions

Installation of XDSAPP

After downloading the file xdsapp2.0.tgz in the directory of your choice, run the command
tar -zxf xdsapp2.0.tgz
A new directory will be created, containing 11 files:

generate_XDS.INP
logo_hzb.gif
main.py
messages.py
myutils.py
qrc_images.py
readme
ui_xdsapp_gui_4.py
xdsapp2.0.py
xdsenv.py
xdsit.py

Create an alias "xdsapp" pointing to the file xdsapp2.0.py for easy use of the program.

Installation of the GUI components

General instructions: First install Qt4, then sip, PyQt4 and Qwt5.
The instructions below are provided for x86_64 architecture and have been tested by us with the specified operating systems. They may not work with different or older systems. Please note that we can not provide solutions for all operating systems.
Before starting the installation, ensure that your OS and package management software are up to date.
You can check the installation of packages by using the search command of your package manager (e.g. yum search pyqt4). The packages for your architecture will be listed.

Scientific Linux 6.3

Qt4 and sip are already provided in the distribution. Proceed as root user for the rest:
   yum install PyQt4.x86_64
   yum install PyQt4-devel.x86_64
   yum install yum-conf-epel.noarch
   yum --enablerepo=epel install PyQwt PyQwt-devel

Ubuntu 16.04 - 12.04

   sudo apt-get install python-dev
   sudo apt-get install python-sip
   sudo apt-get install python-qt4
   sudo apt-get install python-qwt5-qt4

openSUSE

openSUSE 13.2 and onwards

Add the repository for the package devel:languages:python/bpython using One Click Install. After choosing your distribution, select open with YaST and follow the instructions to add the repository.
From YaST, you can then install python-qwt5 and python-qwt5-devel (click on software management and search for qwt5). Additional software may be added automatically for dependency reasons.

Earlier openSUSE versions

Qt4, sip and python-qt4 are already provided in the distribution.
In YaST2 (root password needed), add the repository
openSUSE BuildService - devel:languages:python
then install python-qwt5 and python-qwt5-devel.
A sip conflict may appear for python-qwt5, which you can solve by installing python-sip-4.16.5-136.1 (YaST2 will prompt you to choose a conflict solution).
Caution: There may be a conflict if you already have python-numpy version 1.7.x. To solve it, install python-numpy 1.9.2-101.2 from the new repository.

OS X

OS X 10.12 (Sierra)

If you upgraded from an earlier OS X and had XDSAPP running properly before, it should still work fine with Sierra.

Otherwise, XDSAPP can not be installed using the instructions below, because some APIs needed for Qt4 are not provided in Sierra. The following procedure has not been tested and is to be used at your own risk solely: first downgrade to OS X 10.11, install the GUI components using the instructions below, and upgrade back to Sierra.

OS X 10.9 (Mavericks) - 10.11 (El Capitan)

First install homebrew:
ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"
brew doctor
The command to install homebrew works for the bash shell. If you use another shell, switch temporarily to bash before installing brew, by entering bash in your terminal.

Then the rest of the packages can be easily installed (this requires the previous installation of xcode):
   brew install qt
   brew linkapps
   brew install sip
   export PYTHONPATH=/usr/local/lib/python2.7/site-packages:$PYTHONPATH (this might have to be adapted to your python version and path)
   brew install pyqt
   brew install pyqwt
In case pyqwt can not be found, run
   brew tap homebrew/boneyard
and try again
   brew install pyqwt
Then procede with
   brew linkapps (just in case)
Copy the line
   export PYTHONPATH=/usr/local/lib/python2.7/site-packages:$PYTHONPATH
into your ~/.bashrc or ~/.bash_profile file (for the bash shell) for future uses of XDSAPP.