[cctbxbb] DIALS releases in PHENIX

Winter, Graeme (DLSLtd,RAL,LSCI) Graeme.Winter at diamond.ac.uk
Wed Jul 14 23:18:05 PDT 2021


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
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