Installation

Option 1: pip-install

1. We recommend you create a new conda environment to work with jVMC:

conda create -n jvmc python=3.8
conda activate jvmc

2. pip-install the package

pip install jVMC

Option 2: Clone and pip-install

1. Clone the jVMC repository and check out the development branch:

git clone https://github.com/markusschmitt/vmc_jax.git
cd vmc_jax

2. We recommend you create a new conda environment to work with jVMC:

conda create -n jvmc python=3.8
conda activate jvmc

3. Create a wheel and pip-install the package

python setup.py bdist_wheel
python -m pip install dist/\*.whl

Test that everything worked, e.g. run ‘python -c “import jVMC”’ from a place different than vmc_jax.

Option 3: Manually install dependencies

If you want to work on the jVMC code you might prefer to install dependencies and set up jVMC without pip-install.