No subject

cctbx-without-dials-but-with-their-own-packages so being able to pip install 
cctbx and it's dependencies would be pretty cool…

Another happy side effect is this would allow e.g. libtbx.bootstrap to 
exist...

Cheers Graeme

On 19 Jan 2018, at 14:10, Winter, Graeme (DLSLtd,RAL,LSCI) 
<graeme.winter at diamond.ac.uk<mailto:graeme.winter at diamond.ac.uk>> wrote:

Hi Rob

Interesting question. I have sympathy for your point of view. Some thoughts, 
from a conversation here in DIALS land…

(i) dxtbx is not only there to support DIALS - cctbx image viewer, bits of 
iotbx, cctbx.xfel also use it (I think)

(ii) from where I am sat this is a wider question - if I have a look in 
cctbx_project I see more “non core code" than just dxtbx:

Graemes-MBP-5:cctbx_project graeme$ ls
README.md cootbx fftw3tbx omptbx sphinx
boost_adaptbx crys3d gltbx prime spotfinder
cbflib_adaptbx cudatbx iota rstbx tbxx
cctbx dox iotbx scitbx ucif
chiltbx dox.sphinx libtbx simtbx wxtbx
clipper_adaptbx dxtbx mmtbx site.pyc xfel
cma_es fable msvc9.0_include smtbx

So, in here we have several things which probably do not “belong” in the 
world view you present below, for example fable, prime, simtbx, xfel etc.

(iii) If we are visiting this stuff, should we be visiting the wider build 
system which I understand is one of the “blockers” for e.g. pip install 
cctbx

I appreciate that this is a wider question than can we pull dxtbx out, but 
is essentially derived…

Best wishes Graeme






On 18 Jan 2018, at 15:56, Dr. Robert Oeffner 
<rdo20 at cam.ac.uk<mailto:rdo20 at cam.ac.uk>> wrote:

Hi all,

I'm wondering if we could make efforts to refactor code modules in the 
cctbx_project so as making it have the minimum number of dependencies. This 
would be helpful to other users of the CCTBX that wishes to develop code on 
top of it. In the longer term it would also make it easier for us to deploy 
CCTBX as a Python wheel installer and by implication, spread the gospel of 
the wonders of the CCTBX.

What is currently complicating this is the inclusion of the dxtbx module 
within the cctbx_project. It is being used by Dials. So my question is if it 
would be possible to move this project into the Dials code?

If the dxtbx was just another small module it wouldn't be much of a problem. 
But the dxtbx depends on the cbflib and HDF5 components. If you want to 
build CCTBX from sources that's cumbersome. Why? Because CCTBX as deployed 
from CCI on http://cci.lbl.gov/cctbx_build/ is only built for a few select 
platforms. Building CCTBX on a different platform from those with bootstrap 
compels us to also build cbflib and HDF5 from scratch. Although this is not 
impossible it does increase the entry barrier for other potential users of 
the CCTBX who wish to incorporate the CCTBX in their programs: If all a user 
wants is to calculate allowed origins and symmetry sites for a given space 
group then an alternative to CCTBX might be preferable rather than having to 
massively expand their project with the seemingly unrelated HDF5 component. 
In other words, as it stands now the CCTBX is not straightforward for others 
to adopt.

What do other people think?


Regards,

Rob


--
Robert Oeffner, Ph.D.
Research Associate, The Read Group
Department of Haematology,
Cambridge Institute for Medical Research
University of Cambridge
Cambridge Biomedical Campus
Wellcome Trust/MRC Building
Hills Road
Cambridge CB2 0XY

www.cimr.cam.ac.uk/investigators/read/index.html<http://www.cimr.cam.ac.uk/investigators/read/index.html>
tel: +44(0)1223 763234
_______________________________________________
cctbxbb mailing list
cctbxbb at phenix-online.org<mailto:cctbxbb at phenix-online.org>
http://phenix-online.org/mailman/listinfo/cctbxbb



-- 
This e-mail and any attachments may contain confidential, copyright and or 
privileged material, and are for the use of the intended addressee only. If 
you are not the intended addressee or an authorised recipient of the 
addressee please notify us of receipt by returning the e-mail and do not 
use, copy, retain, distribute or disclose the information in or attached to 
the e-mail.
Any opinions expressed within this e-mail are those of the individual and 
not necessarily of Diamond Light Source Ltd.
Diamond Light Source Ltd. cannot guarantee that this e-mail or any 
attachments are free from viruses and we cannot accept liability for any 
damage which you may sustain as a result of software viruses which may be 
transmitted in or with the message.
Diamond Light Source Limited (company no. 4375679). Registered in England 
and Wales with its registered office at Diamond House, Harwell Science and 
Innovation Campus, Didcot, Oxfordshire, OX11 0DE, United Kingdom

_______________________________________________
cctbxbb mailing list
cctbxbb at phenix-online.org
http://phenix-online.org/mailman/listinfo/cctbxbb


---
This email has been checked for viruses by AVG.
http://www.avg.com