Create cryoDRGN conda environment

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2022-10-06 16:39:04 +02:00
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# INSTALLATION
IMPORTANT! DON'T INSTALL WITH AURISTOR. Use an OpenAFS system (e.g. *pmod7*).
GLIBC>=2.14 is required (so pmod6 doesn't work).
In theory, the yaml environment contains all the requirements. This should be
updated for each version to change the env name and update requirements.
CONDA_COPY_ALWAYS=1 conda env create --file cryodrgn.yml
conda activate cryodrgn-1.1.0
In practice, some manual installation was required following the github
instructions. (Most errors ultimately stemed from quota issues, so try the
file-based install next version).
Now configure jupyterlab:
jupyter labextension install @jupyter-widgets/jupyterlab-manager --no-build
jupyter labextension install jupyterlab-plotly --no-build
jupyter labextension install plotlywidget --no-build
jupyter lab build
## Pmodules
After installing a new environment, wrap it in the EM/cryodrgn module
## Testing
To test:
conda activate cryodrgn-1.1.0
cryodrgn -h
git clone https://github.com/zhonge/cryodrgn.git
cd cryodrgn/testing
./quicktest.sh
It should take ~20 seconds to run and reach a final loss around 0.08 in version
1.0 and 0.03 in version 1.1+. Note that the output should contain Use cuda
True in the first few lines.

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name: cryodrgn-1.1.0
channels:
- pytorch
- conda-forge
- defaults
dependencies:
- python=3.9
- pytorch
- pandas
- seaborn
- scikit-learn
- umap-learn
- jupyterlab
- ipywidgets
- cufflinks-py
- nodejs>=15.12.0
- pip
- pip:
- git+https://github.com/zhonge/cryodrgn.git@1.1.0