Installation

Dependencies

The following programs/libraries are required to run ModelHamiltonian:

• Python_ (≥3.6)

• NumPy_ (≥1.13)

• SciPy_ (≥1.0)

Install dependencies

The programs required to build and run ModelHamiltonian can be installed with your operating system’s package manager.

E.g., for Debian- or Ubuntu- based Linux systems:

sudo apt-get install git python3 python3-devel python3-pip

Download ModelHamiltonian

Run the following in your shell to download ModelHamiltonian via git:

git clone https://github.com/theochem/ModelHamiltonian.git && cd ModelHamiltonian

Install ModelHamiltonian

Run the following to install ModelHamiltonian:

python3 -m pip install .

Run the following to test ModelHamiltonian:

pytest -v moha/test/test*

To intall GPT version of ModelHamiltonian, run the following:

python3 -m pip install .[gpt]

To install the GUI version of ModelHamiltonian, run the following:

python3 -m pip install .[gui]

To install TOML version of ModelHamiltonian, run the following:

python3 -m pip install .[toml]