Maxwell : dpdak

Summary

Source: https://stash.desy.de/projects/DPDAK/repos/dpdak/browse

License: GPL

Path: /software/dpdak(<version> - on Maxwell only

Citation: A customizable software for fast reduction and analysis of large X-ray scattering data sets: applications of the new DPDAK package to small angle X-ray scattering and grazing-incidence small angle X-ray scattering, Benecke, G. et al., J. Appl. Cryst. 47, 1797-1803, (2014), doi:10.1107/S1600576714019773.

DPDAK is an open source (GPL) tool developed for (online) analysis of large sequences of small angle scattering data - but can be used for other data as well. It is written in Python and runs on Windows and Linux. The development is a cooperation between DESY and MPIKG.

Using dpdak

To set the environment use the module command

xwhich dpdak

 Provided by module(s)
  ... module load maxwell dpdak/1.5.0                          which dpdak: /software/dpdak/1.5.0/DPDAK/bin/dpdak 
  ... module load maxwell dpdak/1.4.1                          which dpdak: /software/dpdak/1.4.1/bin/dpdak 
  ... module load maxwell dpdak/1.3.1                          which dpdak: /software/dpdak/1.3.1/bin/dpdak 

 Documentation: https://confluence.desy.de/display/MXW/dpdak
 URL:           https://confluence.desy.de/display/DPDAK/DPDAK+-+Directly+Programmable+Data+Analysis+Kit
 Manual:        https://confluence.desy.de/display/DPDAK/User+Manual+v1.4.0
 License:       GPL

Installation of v1.5.0

# pull the devel branch from https://stash.desy.de/projects/DPDAK/repos/dpdak/browse?at=refs%2Fheads%2Fdevel
module load maxwell conda
. conda-init
conda create --prefix /software/dpdak/1.5.0 python=3.7
conda activate /software/dpdak/1.5.0
conda install -c conda-forge wxpython numpy scipy pillow matplotlib pyfai h5py hdf5plugin lxml pycairo pyopencl pocl networkx
cd /software/dpdak/1.5.0
mkdir -p DPDAK/{MPIKG_Plugins,DESY_MiNaXS_Plugins}
cd DPDAK
unzip ~/dpdak-devel@08adcaea4db.zip 
# create a mini-wrapper in /software/dpdak/1.5.0/DPDAK/bin

Installation of v1.4.1

virtualenv /software/dpdak/1.4.1/external
source /software/dpdak/1.4.1/external/bin/activate

# pil, pillow
pip install --no-cache-dir pillow==6.0.0 pathlib2

# wxpython
pip install -U -f https://extras.wxpython.org/wxPython4/extras/linux/gtk3/centos-7 wxPython

# pyFAI - pip installation won't work, uses UCS2 instead of UCS4
wget https://github.com/silx-kit/pyFAI/archive/0.18.zip -O pyFAI-0.18.zip
unzip pyFAI-0.18.zip 
cd pyFAI-0.18/
pip install --upgrade pip
pip install Cython
python setup.py build
python setup.py install
cd ..
rm -rf pyFAI-0.18*

# other dependencies. matplotlib 2 won't work!
pip install --no-cache-dir scipy NetworkX six pyopencl pycairo lxml h5py fabio hdf5plugin matplotlib==1.5.3

# fix for wxPython 4.0.x
perl -pi -e 's|wx.lib.foldpanelbar|wx.lib.agw.foldpanelbar|' /software/dpdak/1.4.1/config.py
perl -pi -e 's|SetToolTipString|SetToolTip|' /software/dpdak/1.4.1/config.py

deactivate

The wrapper for dpdak:

[elx]% cat /software/dpdak/1.4.1/bin/dpdak
#!/bin/bash
source /software/dpdak/1.4.1/external/bin/activate
python2 -W ignore::DeprecationWarning /software/dpdak/1.4.1/main.py "$@" 
deactivate