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
Describe the bug
Error when creating dataset view:
To Reproduce
Expected behavior
No error