[cctbxbb] Failing shelxl test

[Graeme.Winter at diamond.ac.uk]

Folks,

I keep getting this error:


libtbx.python "/Users/graeme/svn/cctbx/modules/cctbx_project/cctbx/development/run_shelx.py" P31 [FAIL]
  Time:  1.38
  Return code: 1
  OKs: 0
  Standard error:
    Traceback (most recent call last):
      File "/Users/graeme/svn/cctbx/modules/cctbx_project/cctbx/development/run_shelx.py", line 253, in <module>
        run(args=sys.argv[1:])
      File "/Users/graeme/svn/cctbx/modules/cctbx_project/cctbx/development/run_shelx.py", line 250, in run
        debug_utils.parse_options_loop_space_groups(args, run_call_back)
      File "/Users/graeme/svn/cctbx/modules/cctbx_project/cctbx/development/debug_utils.py", line 120, in parse_options_loop_space_groups
        show_cpu_times, **kwds)
      File "/Users/graeme/svn/cctbx/modules/cctbx_project/cctbx/development/debug_utils.py", line 83, in loop_space_groups
        call_back_result = call_back(flags, space_group_info, **kwds)
      File "/Users/graeme/svn/cctbx/modules/cctbx_project/cctbx/development/run_shelx.py", line 244, in run_call_back
        verbose=flags.Verbose)
      File "/Users/graeme/svn/cctbx/modules/cctbx_project/cctbx/development/run_shelx.py", line 234, in exercise
        run_shelx(shelx_titl, structure_factors, verbose=verbose)
      File "/Users/graeme/svn/cctbx/modules/cctbx_project/cctbx/development/run_shelx.py", line 210, in run_shelx
        check_anisou(shelx_titl, xray_structure, shelx_pdb, verbose)
      File "/Users/graeme/svn/cctbx/modules/cctbx_project/cctbx/development/run_shelx.py", line 163, in check_anisou
        assert TotalMismatches == 0
    AssertionError

Please verify these tests manually.


it is annoying as I understand it is to do with a change in shelxl - would it be OK to comment the test out to allow builds to pass? I am not sure it is useful at the moment

Thank you Graeme




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