Installation

  1. Download the source files

    git clone https://github.com/QuantumPackage/qp2.git

  2. Install the dependencies

    ./configure # tells you what to install. See in INSTALL.rst

  3. !! USE AT YOUR OWN RISK, NO SUPPORT WILL BE PROVIDED !!

    ./configure –install something

  4. The following libraries are needed for the ocaml package

    • zlib1g-dev
    • libncurses5-dev
    • pkg-config
    • libgmp3-dev
    • m4
  5. Once the SMILING COW APPEAR, load the ENVIRONMENT VARIABLES

    source quantum_package.rc

  6. Define your COMPILATION CONFIGURATION FILE

    ./configure -c ./config/a_file.cfg

  7. COMPILE with NINJA

    ninja

Hartree-Fock calculation