2. Install

2.1. Download

You can download the source code for``TeNeS``from the GitHub page . If you have git installed on your machine, type the following command to start download:

$ git clone https://github.com/issp-center-dev/TeNeS

2.2. Prerequisites

The following tools are required for building TeNeS.

  1. C++11 compiler

  2. CMake (>=2.8.14)

  3. MPI and ScaLAPACK

TeNeS depends on the following libraries, but these are downloaded automatically through the build process.

  1. mptensor

  2. cpptoml

  3. sanitizers-cmake

ScaLAPACK must be installed by yourself. If you use homebrew in Mac, type the following command:

brew install scalapack

For others, see the web page of ScaLAPACK.

For tenes_simple which generates the input file for tenes, the following libraries are needed.

  1. Python (>= ver.3 is recommended)

  2. numpy

  3. toml

2.3. Install

  1. Build TeNeS by typing the following commands:

$ mkdir build
$ cd build
$ cmake  -DCMAKE_INSTALL_PREFIX=<path to install to> ..
$ make

The executable file tests will be generated in build/src directory. The default value of the <path to install to> is /usr/local.

  1. Install TeNeS by typing the following commands:

$ make install

In this case, tenes is installed into the <path to install to>/bin .

Specify compiler

CMake detects your compiler automatically but sometimes this is not what you want. In this case, you can specify the compiler by the following way,

$ cmake -DCMAKE_CXX_COMPILER=<path to your compiler> ../

Use the pre-built mptensor

TeNeS is based on the parallerized tensor library mptensor. The build system of TeNeS installs this automatically, but if you want to use the specific version of the mptensor, please add the following option in cmake.

$ cmake -DMPTENSOR_ROOT=<path to mptensor> ../