/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pandas/core/computation/expressions.py:21: UserWarning: Pandas requires version '2.8.4' or newer of 'numexpr' (version '2.7.3' currently installed).
from pandas.core.computation.check import NUMEXPR_INSTALLED
Traceback (most recent call last):
File "/home/rchaves/miniforge3/envs/mwf_env/bin/mwf", line 7, in <module>
sys.exit(main())
File "/home/rchaves/repo/mwf/model_workflow/console.py", line 197, in main
workflow(project_parameters = project_args, **workflow_args)
File "/home/rchaves/repo/mwf/model_workflow/mwf.py", line 2513, in workflow
getter(md)
File "/home/rchaves/repo/mwf/model_workflow/mwf.py", line 341, in __call__
output = self.func(**processed_args)
File "/home/rchaves/repo/mwf/model_workflow/analyses/hydrogen_bonds.py", line 124, in hydrogen_bonds
hbonds = pt.hbond(pt_trajectory, mask=interface_pt_mask)
File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/utils/decorators.py", line 11, in inner
return f(*args, **kwd)
File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/utils/get_common_objects.py", line 314, in inner
return f(*args, **kwargs)
File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/analysis/hbond_analysis.py", line 239, in hbond
dslist_new = get_data_from_dtype(dslist, dtype='dataset')
File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/utils/get_common_objects.py", line 67, in get_data_from_dtype
return DSL(d0)
File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/datasets/datasetlist.py", line 125, in __init__
self.append(DataArray(d0), copy=copy)
File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/datasets/datasetlist.py", line 353, in append
check_key(self, dset.key)
File "/home/rchaves/miniforge3/envs/mwf_env/lib/python3.10/site-packages/pytraj/datasets/datasetlist.py", line 350, in check_key
raise KeyError("must have different key")
KeyError: 'must have different key'
Project name: tRNA model 2 + dicer
Error log: