[cctbxbb] [Dials-support] DIALS source tarball

[markus.gerstel at diamond.ac.uk]

Cc'ing cctbx folks

David Waterman wrote:
> So maybe once we have a source tarball up at dials.diamond.ac.uk (..)

Speaking of which: our DIALS builds are currently failing at the installer testing stage. This is due to cctbx/regression/tst_geometry_restraints_2.py failing deep in mmtbx territory.
So far I could not figure out how to get this running properly.


Call:

libtbx.python tst_geometry_restraints_2.py

Standard Output 

Skipping exercise_with_zeolite(): input file not available
Skipping exercise_with_pdb(): chem_data directory not available

Standard Error

Traceback (most recent call last):
  File "/scratch/jenkins_slave/workspace/dials_test_installer/dials-dev/modules/cctbx_project/cctbx/regression/tst_geometry_restraints_2.py", line 866, in <module>
    exercise_all(sys.argv[1:])
  File "/scratch/jenkins_slave/workspace/dials_test_installer/dials-dev/modules/cctbx_project/cctbx/regression/tst_geometry_restraints_2.py", line 862, in exercise_all
    exercise_na_restraints_output_to_geo(verbose=verbose)
  File "/scratch/jenkins_slave/workspace/dials_test_installer/dials-dev/modules/cctbx_project/cctbx/regression/tst_geometry_restraints_2.py", line 805, in exercise_na_restraints_output_to_geo
    log=out1)
  File "/scratch/jenkins_slave/workspace/dials_test_installer/dials-dev/modules/cctbx_project/mmtbx/monomer_library/pdb_interpretation.py", line 5270, in run
    log=log)
  File "/scratch/jenkins_slave/workspace/dials_test_installer/dials-dev/modules/cctbx_project/mmtbx/monomer_library/pdb_interpretation.py", line 4876, in __init__
    restraints_loading_flags=restraints_loading_flags,
  File "/scratch/jenkins_slave/workspace/dials_test_installer/dials-dev/modules/cctbx_project/mmtbx/monomer_library/pdb_interpretation.py", line 2902, in __init__
    log=log,
  File "/scratch/jenkins_slave/workspace/dials_test_installer/dials-dev/modules/cctbx_project/mmtbx/monomer_library/pdb_interpretation.py", line 2287, in __init__
    m_j=mm)
  File "/scratch/jenkins_slave/workspace/dials_test_installer/dials-dev/modules/cctbx_project/mmtbx/monomer_library/pdb_interpretation.py", line 1513, in get_lib_link
    return mon_lib_srv.link_link_id_dict["rna3p"]
KeyError: 'rna3p'


(On a side note: We really should call multiple tests within the same python file separately, instead of running them together within a signle run() method. This file contains 4 tests, but these will result in only a single return value for any upstream processing of the test results, such as Jenkins.)

-Markus

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