Provides a more standardized way to build gtfock to be used in Psi4
- We need to clone this repository recursively to clone the git submodules:
git clone --recursive https://github.com/Awallace3/gtfock_psi4.git
- Create conda environment
conda env create -f env.yml
- Activate conda environment
conda activate p4devGTF
- Run
bash build_deps.sh
- Build GTFock with gcc/g++ instead of icc/icpc
- switch from
build_deps.sh
to a more cmake friendly approach- submodules:
- libcint CMakeLists.txt
- ERD CMakeLists.txt
- OED CMakeLists.txt
- GTMatrix CMakeLists.txt
- GTFock CMakeLists.txt
- GTFock cmake builds it's dependencies
- submodules: