Bug#844618: ITP: bornagain -- Simulating and fitting X-ray and neutron small-angle scattering at grazing incidence

[Mika Pflüger]

Hi Frederic,

I was just accepted in the debian-science team on alioth, my login is 
mikapfl-guest.
Thanks for creating the git repository on alioth, I'll commit what I've 
done so far (mostly some metadata like watchfile and copyright) using 
git-buildpackage soon.
bornagain is a pretty complex program, with a C++ shared library, a qt 
GUI and bindings for python as well as python3. I'll first try to build 
one monolithic package with GUI, library and python bindings, and then 
see how to split it and build the python3 bindings as well.
Another problem might be the bundled libraries, the upstream tarball is 
bundling patched versions of gtest, some fitting routines from other 
packages like ROOT and some themes and widgets from qt.


Cheers

Mika

Am 2016-11-18 08:07, schrieb PICCA Frederic-Emmanuel:

Hello Mika,

VEry glade to hear that you decided to integrate bornagain into Debian.

I created a git repository for it under

ssh://git.debian.org/git/debian-science/packages/bornagain.git

do you have an alioth account, and are you already member of the
debian-science team ?


Cheers


Frederic

Bug#844618: ITP: bornagain -- Simulating and fitting X-ray and neutron small-angle scattering at grazing incidence

[PICCA Frederic-Emmanuel]

Hello Mika,

VEry glade to hear that you decided to integrate bornagain into Debian.

I created a git repository for it under

ssh://git.debian.org/git/debian-science/packages/bornagain.git

do you have an alioth account, and are you already member of the debian-science 
team ?


Cheers


Frederic

Bug#844618: ITP: bornagain -- Simulating and fitting X-ray and neutron small-angle scattering at grazing incidence

[Mika Pflüger]

Package: wnpp
Severity: wishlist
Owner: "Mika Pflüger" 

User: debian-scie...@lists.debian.org
Usertags: field..physics

* Package name: bornagain
  Version : 1.7.0
  Upstream Author : Scientific Computing Group at MLZ Garching: Jan Burle,
Jonathan M. Fisher, Marina Ganeva, Gennady Pospelov, Walter Van Herck and
Joachim Wuttke
* URL : http://bornagainproject.org
* License : GPL3
  Programming Lang: C++, Python
  Description : Simulating and fitting X-ray and neutron small-angle
scattering at grazing incidence

BornAgain is a software package to simulate and fit small-angle scattering at
grazing incidence. It supports analysis of both X-ray (GISAXS) and neutron
(GISANS) data. Calculations are carried out in the framework of the distorted
wave Born approximation (DWBA). BornAgain provides a graphical user interface
for interactive use as well as a generic python and C++ framework for modeling
multilayer samples with smooth or rough interfaces and with various types of
embedded nanoparticles.
..
BornAgain supports:
..
Layers:
* Multilayers without any restrictions on the number of layers
* Interface roughness correlation
* Magnetic materials
..
Particles:
* Choice between different shapes of particles (form factors)
* Particles with inner structures
* Assemblies of particles
* Size distribution of the particles (polydispersity)
..
Positions of Particles:
* Decoupled implementations between vertical and planar positions
* Vertical distributions: particles at specific depth in layers or on top.
* Planar distributions:
  - fully disordered systems
  - short-range order distribution (paracrystals)
  - two- and one-dimensional lattices
..
Input Beam:
* Polarized or unpolarized neutrons
* X-ray
* Divergence of the input beam (wavelength, incident angles) following
different distributions
* Possible normalization of the input intensity
..
Detector:
* Off specular scattering
* Two-dimensional intensity matrix, function of the output angles
..
Use of BornAgain:
* Simulation of GISAXS and GISANS from the generated sample
* Fitting to reference data (experimental or numerical)
* Interactions via Python scripts or Graphical User Interface
..
If you use BornAgain in your work, please cite
C. Durniak, M. Ganeva, G. Pospelov, W. Van Herck, J. Wuttke (2015), BornAgain
— Software for simulating and fitting X-ray and neutron small-angle
scattering at grazing incidence, version ,
http://www.bornagainproject.org

I would like to maintain the package within the debian science team. It would
be great to also get other widely-used free small- and wide-angle scattering
systems into debian, so it would be great to work together with other
interested people to package BornAgain as well as other SAS/WAS software.

Cheers,

Mika