Skip to content

Error when creating dataset view #984

@jaclark5

Description

@jaclark5

Describe the bug
Error when creating dataset view:

Internal job resulted in an error:
Traceback (most recent call last):
  File "/home/qcarchive/.local/lib/python3.13/site-packages/qcfractal/components/internal_jobs/socket.py", line 360, in _run_single
    result = func(**job_orm.kwargs, **add_kwargs)
  File "/home/qcarchive/.local/lib/python3.13/site-packages/qcfractal/components/dataset_socket.py", line 530, in create_view_attachment
    create_view_file(
    ~~~~~~~~~~~~~~~~^
        session,
        ^^^^^^^^
    ...<8 lines>...
        job_progress=job_progress,
        ^^^^^^^^^^^^^^^^^^^^^^^^^^
    )
    ^
  File "/home/qcarchive/.local/lib/python3.13/site-packages/qcfractal/components/dataset_processing/views.py", line 165, in create_view_file
    record_data = [record_type(**r) for r in record_dicts]
                   ~~~~~~~~~~~^^^^^
  File "/home/qcarchive/.local/lib/python3.13/site-packages/qcportal/record_models.py", line 440, in __init__
    BaseModel.__init__(self, **kwargs)
    ~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^
  File "/home/qcarchive/.local/lib/python3.13/site-packages/pydantic/v1/main.py", line 347, in __init__
    raise validation_error
pydantic.v1.error_wrappers.ValidationError: 6 validation errors for SinglepointRecord
is_service
  field required (type=value_error.missing)
status
  field required (type=value_error.missing)
created_on
  field required (type=value_error.missing)
modified_on
  field required (type=value_error.missing)
specification
  field required (type=value_error.missing)
molecule_id
  field required (type=value_error.missing)

To Reproduce

ds = client.get_dataset("torsiondrive", "OpenFF SMIRNOFF Sage 2.3.0")
internal_job_td = ds.create_view(
    description="Full Sage 2.3.0 Torsiondrive dataset",
    provenance={},
    include=["minimum_optimizations", "optimizations"],  # Include these fields
    exclude=["wavefunction", "trajectory", "trajectory_records"],
    include_children=True  # Don't need full child data - this is the key to size reduction
)
internal_job_td.watch()

Expected behavior
No error

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions