AI Proteomics

Set up

$ conda create -n proteo --file conda-linux-64.lock
$ conda activate proteo
$ R
$ if (!requireNamespace("BiocManager", quietly = TRUE))
$    install.packages("BiocManager")

$ BiocManager::install("WGCNA")
$ q()
$ poetry install --with=dev,gpu
$ Add "export LD_PRELOAD=/home/lcornelis/anaconda3/envs/proteo/lib/libstdc++.so.6" to nano ~/.bashrc file

Dev

Only run if changes are made to the environment files.

To recreate the conda lock, after modifying conda.yaml:

pip install conda-lock
make conda-linux-64.lock

To recreate the poetry lock, after modifying pyproject.toml:

make poetry.lock

Note: you need to have poetry installed for this, which means that you need to be in proteo.

And then go back to set up step above.