Conda Installation

Use Conda when you want an isolated and reproducible environment.

1. Create environment

conda create -n surfatt python=3.11 -y
conda activate surfatt

2. Install build dependencies

conda install -c conda-forge cmake make compilers openmpi -y

3. Build SurfATT

git clone https://github.com/TomoATT/SurfATT.git
cd SurfATT
mkdir -p build && cd build
cmake ..
make -j

Notes

• Replace openmpi with your cluster MPI stack if needed.
• Keep an environment.yml in your project for long-term reproducibility.