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Unable to install IsoNet2 sucesfully #23

@TaminoCairoli

Description

@TaminoCairoli

Dear IsoNet team,

I followed the download instructions as described on the GitHub.

I enter the following error messages when I run the bash install.sh command

ERROR: pip's dependency resolver does not currently take into account all the packages that are installed.
This behaviour is the source of the following dependency conflicts. scikit-image 0.25.2 requires lazy-loader>=0.4, but you have lazy-loader 0.3 which is incompatible. wheel 0.46.3 requires packaging>=24.0, but you have packaging 23.2 which is incompatible.

Processing ./.
  Installing build dependencies ... done
  Getting requirements to build wheel ... done
  Preparing metadata (pyproject.toml) ... done
Building wheels for collected packages: IsoNet2
  Building wheel for IsoNet2 (pyproject.toml) ... done
  Created wheel for IsoNet2: filename=isonet2-2.0.1b0-py3-none-any.whl size=2401859 sha256=7e2892aada88a44e93ff2a331a0963170e3493f8cc96f71c016cba6e7eb08028
  Stored in directory: /tmp/pip-ephem-wheel-cache-1achogux/wheels/89/3d/96/a39ba125a4e956e94e4474e3a63c35b580b715f448bd74c027
Successfully built IsoNet2
Installing collected packages: IsoNet2
Successfully installed IsoNet2-2.0.1b0
  % Total    % Received % Xferd  Average Speed   Time    Time     Time  Current
                                 Dload  Upload   Total   Spent    Left  Speed
  0     0    0     0    0     0      0      0 --:--:-- --:--:-- --:--:--     0
100  154M  100  154M    0     0   187M      0 --:--:-- --:--:-- --:--:--  290M

So I checked the isonet2_environment.yml file in order to see which dependencies are needed, and I see the following lines:

scikit-image
lazy-loader==0.3
packaging==23.2

Those are the same versions the installation error was complaining about. Further I sources the isonet2.bashrc file - However I am not able to activate the conda environment.

Some of the commands are still working fine, I tried prepare_star, deconv and make mask. If i try to run refine, the following issue appears:

isonet.py refine tomograms.star --method isonet2-n2n --cube_size 128 --epochs 70 --mw_weight 200 --CTF_mode network --bfactor 200 --gpuID 0

02-03 10:42:16, INFO     16 CPU cores per GPU, total 16 CPUs
02-03 10:42:16, INFO     Enabling mw_weight
02-03 10:42:16, INFO     Total number of parameters: 23989825
02-03 10:42:16, INFO     Port number: 46933
Preprocess tomograms:   0%|                                                  | 0/11 [00:00<?, ?it/s]
Traceback (most recent call last):
  File "/home/cemkguest/software/IsoNet2/build/conda_env/bin/isonet.py", line 6, in <module>
    sys.exit(main())
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/IsoNet/bin/isonet.py", line 1064, in main
    fire.Fire(ISONET)
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/fire/core.py", line 141, in Fire
    component_trace = _Fire(component, args, parsed_flag_args, context, name)
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/fire/core.py", line 475, in _Fire
    component, remaining_args = _CallAndUpdateTrace(
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/fire/core.py", line 691, in _CallAndUpdateTrace
    component = fn(*varargs, **kwargs)
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/IsoNet/bin/isonet.py", line 743, in refine
    network.prepare_train_dataset(training_params)
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/IsoNet/models/network.py", line 168, in prepare_train_dataset
    self.train_dataset = Train_sets_n2n(training_params['star_file'],method=training_params['method'], 
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/IsoNet/models/data_sequence.py", line 128, in __init__
    self._initialize_data()
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/IsoNet/models/data_sequence.py", line 144, in _initialize_data
    mask = self._load_statistics_and_mask(row, column_name_list)
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/IsoNet/models/data_sequence.py", line 185, in _load_statistics_and_mask
    with mrcfile.mmap(row[even_column], mode='r', permissive=True) as tomo_even, \
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/mrcfile/load_functions.py", line 274, in mmap
    return MrcMemmap(name, mode=mode, permissive=permissive)
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/mrcfile/mrcfile.py", line 109, in __init__
    self._open_file(name)
  File "/home/cemkguest/software/IsoNet2/build/conda_env/lib/python3.10/site-packages/mrcfile/mrcfile.py", line 126, in _open_file
    self._iostream = open(name, self._mode + 'b')
FileNotFoundError: [Errno 2] No such file or directory: 'None'

The traceback points to:

with mrcfile.mmap(row[even_column], mode='r', permissive=True)

This suggests that a file path from the STAR file is being read as None (I am using full tomograms) . Could the refine error be related to the environment inconsistencies, or does it indicate a formatting/path issue in the STAR file? Is there a recommended way to correctly activate or recreate the IsoNet2 conda environment?

I would appreciate any help!

Best,
Tamino

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