Prerequisites

  • Python3 (>=3.6)

    • The following Python packages are required.
      • toml
      • numpy ($gt;=1.17)

    • Optional packages

      • mpi4py (required for grid search)
      • scipy (required for Nelder-Mead method)
      • physbo (>=0.3, required for Baysian optimization)

How to download and install

You can install the py2dmat python package and the py2dmat command using the method shown below.

  • Installation using PyPI (recommended)
$ python3 -m pip install py2dmat
    • --user option to install locally ($HOME/.local)
    • If you use py2dmat[all], optional packages will be installed at the same time.
  • Installation from source code
$ git clone https://github.com/issp-center-dev/2DMAT
$ python3-mpipinstall./2DMAT
    • The pip version must be 19 or higher (can be updated with python3 -m pip install -U pip).

  • Download the sample files

      • Sample files are included in the source code.
    $ git clone https://github.com/issp-center-dev/2DMAT

Note that among the direct problem solvers used in py2dmat, the following solver must be installed separately:

  • TRHEPD forward problem solver (sim-trhepd-rheed)

Please refer to the tutorials of each solver for installation details.

How to run

In py2dmat , the analysis is done by using a
predefined optimization algorithm Algorithm
and a direct problem solver Solver

$ py2dmat input.toml

See “Search algorithms” in the manual for the predefined Algorithm and solver/input for the Solver.

If you want to prepare the Algorithm or Solver by yourself, use the py2dmat package. See “(For
developers) User-defined algorithm and solver” in the manual for details.

How to uninstall

Please type the following command:

$ python3 -m pip uninstall py2dmat