[cctbxbb] Tidy up CCTBX

[Aaron Brewster]

Hi folks,

There are lots of threads in this email.  Pulling a couple of them...

   1. The LBL team runs the libtbx/phil/tst_interface.py test nightly in
   buildbot as part of testing phenix, so the test is exercised (and it passed
   last night).  Whether it should be moved to phenix_regression is another
   issue (I don't think it's necessary, the has_module call seems clear to me).
   2. I think there are many projects that shouldn't be moved out of
   cctbx_project.  IOTA, xfel, prime, simtbx, and dxtbx are all under active
   development and are useful to many crystallographers.  cctbx is a toolbox
   after all.  It just has a lot of tools.
   3. That said, It may be worth having a discussion about fable, and maybe
   one or two of the others.  That can be done in separate threads for each
   project?
   4. I would like to break compile-time dependencies on external packages
   in dxtbx as identified by Rob.  If the C++ code in dxtbx/iotbx that imports
   cbf.h and hdf5.h is moved to separate boost-python extension modules (some
   of this is done already), then the SConscript can be made smarter and
   compile only the libraries it can find headers for.  I'd be in favor of
   making two issues to track this work, one for cbflib and one for hdf5.
   That would be a step in the direction restoring the 'standaloneness' of the
   cctbx package.

-Aaron

On Tue, Jan 23, 2018 at 3:16 AM, <markus.gerstel at diamond.ac.uk> wrote:

> Hi Marcin
>
> Hmm, so in other words "his free / open source software cannot be fully
> tested without agreeing to this license"?
>
> No, still doesn't make sense to me. It only raises more questions. Such
> as: does Travis have a phenix license?
>
> Currently we don't run these tests at all - although we *should* run all
> tests on libtbx - because we don't have phenix installed during cctbx tests.
> Either the required test data should fully go into libtbx or the test
> should fully go into phenix. Distributing a test in two parts is no good to
> anyone.
>
> -Markus
>
> ________________________________________
> From: cctbxbb-bounces at phenix-online.org [cctbxbb-bounces at phenix-online.org]
> on behalf of Marcin Wojdyr [wojdyr at gmail.com]
> Sent: Tuesday, January 23, 2018 10:55
> To: cctbx mailing list
> Cc: Randy Read
> Subject: Re: [cctbxbb] Tidy up CCTBX
>
> Hi Graeme,
>
> > Turns out that the assert that libtbx has no dependencies is not
> strictly true:
> >
>
> >   if (not libtbx.env.has_module(name="phenix")):
> >     print "phenix module not available: skipping advanced tests"
> >     return
>
> This is optional dependency (cctbx optionally uses Phenix for testing
> in various places) and doesn't cause problems.
> If you'd like to do disentangling, dxtbx-iotbx would be a good
> starting point as it really causes problems.
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