YoshitakaMo / localcolabfold

ColabFold on your local PC
MIT License
556 stars 129 forks source link

Question:./bin/colabfold_batch -h results in ModuleNotFoundError: No module named 'opt_einsum' #143

Open imanassypov opened 1 year ago

imanassypov commented 1 year ago

ModuleNotFoundError: No module named 'opt_einsum' after following through steps described https://www.macinchem.org/reviews/alphafold/installalphafold2.php, I am unable to run the executable with the above error message

Computational environment

To Reproduce Steps to reproduce the behavior: /bin/bash -c "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/HEAD/install.sh)" brew install wget cmake gnu-sed brew install brewsci/bio/hh-suite brew install --cask miniforge wget https://raw.githubusercontent.com/YoshitakaMo/localcolabfold/main/install_colabbatch_M1mac.sh bash install_colabbatch_M1mac.sh ./bin/python3.9 -m pip install scipy --no-deps --no-color

./bin/colabfold_batch -h Traceback (most recent call last): ... File "/Users/igor/Downloads/localcolabfold/colabfold-conda/lib/python3.9/site-packages/jax/_src/numpy/lax_numpy.py", line 39, in import opt_einsum ModuleNotFoundError: No module named 'opt_einsum'

Expected behavior ./bin/colabfold_batch -h should produce executable options

imanassypov commented 1 year ago

installing additional dep appears to have resolve the above issue, ./bin/python3.9 -m pip install opt-einsum

imanassypov commented 1 year ago

Another dep failure,

./bin/colabfold_batch --amber --templates --num-recycle 3 ~/Downloads/O15552.fasta FFA2output

Traceback (most recent call last): ... File "/Users/igor/Downloads/localcolabfold/colabfold-conda/lib/python3.9/site-packages/alphafold/model/tf/shape_helpers.py", line 16, in import tensorflow.compat.v1 as tf ModuleNotFoundError: No module named 'tensorflow'