Installation

There are two ways of installing pyPDAF.

Conda

The easiest approach is using conda. Currently, pyPDAF is available from conda for Windows, Linux and MacOS. The installation can be obtained via:

conda create -n pypdaf -c conda-forge yumengch::pypdaf

After installation, pyPDAF can be used by activating the conda environment conda activate pypdaf.

Source code

In some cases, it might be desirable to compile pyPDAF using your preferred compilers and environment. In this case, pyPDAF can be installed from source

git clone https://github.com/yumengch/pyPDAF.git
cd pyPDAF
git submodule update --init --recursive
pip install -v .

The installation congifuration is specified in setup.cfg. Example setup configurations are provided in PDAFBuild directory.

Each entry of the configuration file is listed here:

  • pwd: This is the path to the current directory of the repository, e.g. /home/users/xxxx/pyPDAF

  • PDAF_dir: This is the absolute, or relative (to pwd) path where PDAF directory is located. One do not need to change this option.

  • cmake_config_path is the path to the .cmake file for PDAF compilation. This file contains CMake configurations for PDAF. There are example configurations in the PDAFBuild directory

  • condaBuild is a switch for building a conda package. If the purpose of compiling is not building a conda package, this option should always be False.

  • c_compiler and fortran_compiler specifies the compiler being used. c_compiler can be: gcc, msvc, icc, clang and fortran_compiler can be: gfortran and ifort. The fortran_compiler should be consistent with the compiler used in cmake configuration file.

  • useMKL decides if you use Intel’s Math Kernel Library (MKL). If True is given, MKLROOT must be specified which is the absolute path to the static MKL library

  • LAPACK_PATH and LAPACK_Flag is the path to the BLAS and LAPACK directory and the linking flag respectively. They can be delimited by ,. For example, we can have LAPACK_Flag=blas,lapack. Do not give -lblas as setuptools deal with the format to the linker.

  • MPI_LIB_PATH is the path to the MPI library. In windows, this path is usually C:\Program Files (x86)\Microsoft SDKs\MPI\Lib\x64.