Building docker is missing environment.yml file

[OleinikovasV]

Trying to build a docker based on Dockerfile

docker build .

ultimately results in failure due to a missing file:

EnvironmentFileNotFound: '/code/environment.yml' file not found

[TJGorrie]

Hi, the dockerfile instructions are largely out of date.

The recommended installation process is to use a conda environment.

conda create -n fragalysis_env anaconda -y
conda activate fragalysis_env
conda install -c conda-forge rdkit -y

# Install our-bespoke version of gemmi # Required
git clone https://github.com/xchem/gemmi_pandda.git
cd gemmi_pandda/
pip install -U --force-reinstall .
cd ..

# Also Required
git clone https://github.com/xchem/pandda_gemmi.git
cd pandda_gemmi/
pip install -e .
cd ..

# Finally install the api
git clone "https://github.com/xchem/fragalysis-api.git"
cd fragalysis-api/
pip install -e .
cd ..