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CalcJobs and calculation functions aiida.calculations Data node types aiida.data CalcJob parsers aiida.parsers
aiida-pythonjob
Run Python functions on a remote computer.
status alpha
AiiDA
>=2.7.1,<3
General information
Registry checks
E002: Failed to import package aiida_pythonjob<pre>Traceback (most recent call last):
File "<string>", line 1, in <module>
File "/opt/conda/lib/python3.10/site-packages/aiida_pythonjob/__init__.py", line 8, in <module>
from .decorator import pyfunction
File "/opt/conda/lib/python3.10/site-packages/aiida_pythonjob/decorator.py", line 16, in <module>
from aiida_pythonjob.launch import create_inputs, prepare_pyfunction_inputs
File "/opt/conda/lib/python3.10/site-packages/aiida_pythonjob/launch.py", line 9, in <module>
from node_graph.node_spec import BaseHandle
ModuleNotFoundError: No module named 'node_graph.node_spec'
</pre>
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Plugins provided
Calculations 1 Parsers 1 Data 5
Entry points
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pythonjob.pythonjob
aiida_pythonjob.calculations.pythonjob:PythonJob
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pythonjob.ase.atoms.Atoms
aiida_pythonjob.data.atoms:AtomsData -
pythonjob.builtins.NoneType
aiida_pythonjob.data.common_data:NoneData -
pythonjob.builtins.function
aiida_pythonjob.data.common_data:FunctionData -
pythonjob.datetime.datetime
aiida_pythonjob.data.common_data:DateTimeData -
pythonjob.jsonable_data
aiida_pythonjob.data.jsonable_data:JsonableData
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pythonjob.pythonjob
aiida_pythonjob.parsers.pythonjob:PythonJobParser