[cctbxbb] Using cctbx as a C++ only library

Martin Uhrin martin.uhrin.10 at ucl.ac.uk
Sat Nov 26 04:08:31 PST 2011

Dear Cctbx community,

thank you very much for the great library, full of wonderful algorithms.

I'm writing a structure searching engine in C++ to be used as a high
throughput method to do energy landscape sampling with a view to
finding new ground state crystal structures.

Key requirements of this project are efficiency and ease of
development & deployment.  Cctbx has many useful algorithms and data
structures that I would like to avoid having to re-code if possible.
Thus I've downloaded and played with the source as it is but have
found it difficult to integrate with my project (for understandably
reasons given the goals of cctbx).

My main goals regarding ease of development & deployment mean that it
would be very inconvenient to distribute the entire cctbx with my
code.  Ideally I'd like to achieve the following:

* strip out everything python related (apart from maybe the build system)
* strip out all modules (namespaces) that are unused by my code

leaving a fairly bare-bones C++ library that is quick and easy to build.

Is anyone able to comment on how feasible this might be?  Is this even
worth attempting?

Many thanks,

Martin Uhrin                                                  Tel: +44
207 679 3466
Department of Physics & Astronomy               Fax:+44 207 679 0595
University College London                         martin.uhrin.10 at ucl.ac.uk
Gower St, London, WC1E 6BT, U.K.         http://www.cmmp.ucl.ac.uk

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