[cctbxbb] DIALS releases in PHENIX

[Robert Oeffner]

Hi Graeme,

We are trying to build Phenix on Windows with python3. The problem we 
have is that when bootstrap.y reaches the libtbx.scons stage Xia2 is 
then trying to pip install something into the conda python but fails and 
the build breaks. Using an older Dials version is a fall back that at 
least enables us to build Phenix with python3 on Windows.

Would you be able to point us to a newer Dials version that builds using 
conda with bootstrap on Windows for python3?

Rob


On 15/07/2021 08:18, Winter, Graeme (DLSLtd,RAL,LSCI) wrote:
> Hi Folks
>
> Following from
>
>
> -  # select dials-3.5 branch
> +  # select dials-3.2 branch
>     def _add_git(self, module, parameters, destination=None):
>       super(PhenixBuilder, self)._add_git(module, parameters, destination)
>       if (module == 'dials' or module == 'dxtbx' or module == 'xia2') and self.python3:
> @@ -2339,9 +2339,9 @@ class PhenixBuilder(CCIBuilder):
>         if module == 'dxtbx':
>           self.add_step(self.shell(command=['git', 'remote', 'set-url', 'origin', 'https://github.com/dials/dxtbx.git'], workdir=workdir))
>           self.add_step(self.shell(command=['git', 'fetch', 'origin'], workdir=workdir))
> -      self.add_step(self.shell(command=['git', 'checkout', 'dials-2.2'], workdir=workdir))
> +      self.add_step(self.shell(command=['git', 'checkout', 'dials-3.2'], workdir=workdir))
>         self.add_step(self.shell(
> -        command=['git', 'branch', '--set-upstream-to=origin/dials-2.2', 'dials-2.2'],
> +        command=['git', 'branch', '--set-upstream-to=origin/dials-3.2', 'dials-3.2'],
>           workdir=workdir))
>
>
> I was wondering - what are the constraints in PHENIX builds which mean bouncing around between extremely different DIALS releases is necessary? I note the shift from 2.2 to 3.2 would give a significant change in behaviour to the end user (who ultimately  we may end up having to help with debugging)
>
> If we knew better why these changes were coming through, maybe we could help to keep PHENIX up to date?
>
> I would draw comparisons with CCP4 however they have been stuck in 2.2-series forever now as they’re still not able to support Python3 - will be in CCP4 8.x which will be ready any time now.
>
> I only mention this as it would be really good to start eliminating obsolete versions from distribution as “please go to dials.github.io and install a non-ancient version” is annoying advice to an end user with a fresh install of PHENIX or CCP4.
>
> Thanks Graeme

-- 
-
Robert Oeffner, Ph.D.
Research Associate, The Read Group
Department of Haematology,
Cambridge Institute for Medical Research
University of Cambridge
Cambridge Biomedical Campus
The Keith Peters Building
Hills Road
Cambridge CB2 0XY
www.cimr.cam.ac.uk/investigators/read/index.html
tel: +44(0)1223 763234


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