Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Irreproducible conda environment from yml file #81

Open
pottsj21 opened this issue Jan 10, 2024 · 0 comments
Open

Irreproducible conda environment from yml file #81

pottsj21 opened this issue Jan 10, 2024 · 0 comments

Comments

@pottsj21
Copy link

pottsj21 commented Jan 10, 2024

As is, running the given yml file on conda 23.11.0 in my Linux system installed a cpu-only pytorch. Here's a fixed yml file that specifies a GPU-compatible Pytorch:

name: RF2NA
channels:
  - pytorch
  - nvidia
  - defaults
  - conda-forge
dependencies:
  - python=3.10
  - pip
  - pytorch::pytorch=2.0.1=py3.10_cuda11.7_cudnn8.5.0_0
  - requests
  - pytorch-cuda=11.7
  - dglteam/label/cu117::dgl
  - pyg::pyg
  - bioconda::mafft
  - bioconda::hhsuite
  - bioconda::blast
  - bioconda::hmmer>=3.3
  - bioconda::infernal
  - bioconda::cd-hit
  - bioconda::csblast
  - pip:
    - psutil
    - tqdm

and output from conda env export for a reproducible yml file is attached. Issue is similar to #36 , but here we want to run on GPU and not CPU. Additionally, you may want to add aria2 to the dependency list, as aria2c is recommended for downloading large dbs like bfd.
env.txt

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant