Work in progress

Installation

With uv and conda env:

git clone https://github.com/softnanolab/MultimerDocking.git
cd MultimerDocking
git submodule update --init --recursive
conda create -n dock python=3.12
conda activate dock
uv pip install -e ".[dev]"
cd submodules/mint && uv pip install -e .   # this is to install mint

For later submodule updates from the parent repo:

git submodule update --remote --merge

Then commit and push the updated submodule SHA in the parent repo if you want to record it.

Alternatively, you can git pull inside the submodule and then commit the updated submodule SHA in the parent repo.

With uv and uv env:

git clone https://github.com/softnanolab/MultimerDocking.git
cd MultimerDocking
git submodule update --init --recursive
uv sync
cd submodules/mint && uv pip install -e .