build_nep_traj function error

[benjibre]

Describe the bug The build_nep_traj function on the current build exits with an attribute error:

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Traceback (most recent call last): File "/home/bre/.conda/envs/pq/bin/build_nep_traj", line 8, in sys.exit(main()) ^^^^^^ File "/home/bre/.conda/envs/pq/lib/python3.12/site-packages/PQAnalysis/cli/build_nep_traj.py", line 176, in main BuildNEPTrajCLI.run(args) File "/home/bre/.conda/envs/pq/lib/python3.12/site-packages/PQAnalysis/cli/build_nep_traj.py", line 153, in run writer.write_from_files( File "/home/bre/.conda/envs/pq/lib/python3.12/site-packages/decorator.py", line 232, in fun return caller(func, *(extras + args), kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/bre/.conda/envs/pq/lib/python3.12/site-packages/PQAnalysis/type_checking.py", line 113, in runtime_type_checking return func(*args, *kwargs) ^^^^^^^^^^^^^^^^^^^^^ File "/home/bre/.conda/envs/pq/lib/python3.12/site-packages/PQAnalysis/io/nep/nep_writer.py", line 268, in write_from_files n_frames = calculate_frames_of_trajectory_file(xyz_file) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/bre/.conda/envs/pq/lib/python3.12/site-packages/decorator.py", line 232, in fun return caller(func, (extras + args), kw) ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ File "/home/bre/.conda/envs/pq/lib/python3.12/site-packages/PQAnalysis/type_checking.py", line 113, in runtime_type_checking return func(*args, **kwargs) ^^^^^^^^^^^^^^^^^^^^^ File "/home/bre/.conda/envs/pq/lib/python3.12/site-packages/PQAnalysis/io/traj_file/api.py", line 122, in calculate_frames_of_trajectory_file return reader.calculate_number_of_frames() ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^ AttributeError: 'TrajectoryReader' object has no attribute 'calculate_number_of_frames'. Did you mean: 'calculate_number_of_frames_per_file'?

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