Download and Installation

Python package

ddx is available in the form of the pyddx python package. This can be installed directly from pypi:

pip install pyddx

A conda-forge package will be added soon.

If you want to build the python package from source, simply run:

setup.py test

Source code

Download the ddX source code at:

git@github.com:ddsolvation/ddX.git

Download and install ddX as follows:

> git clone git@github.com:ddsolvation/ddX.git
> cd ddX
> mkdir build
> cd build
> cmake ..
> make

Per default, the library is located in /src.

Build the documentation as follows (after you have done the above process):

> cd build
> make docs

To see the documentation

> cd ../doxygen
> pwd

Copy the link shown by pwd and add /index.html in a web browser

Hints and hacks

1. For specifying compilers use

   cmake -D CMAKE_CXX_COMPILER=/usr/local/bin/g++-11 CMAKE_Fortran_COMPILER=/usr/local/bin/gfortran-11 ..

   or

   cmake -D CMAKE_CXX_COMPILER=icx CMAKE_Fortran_COMPILER=ifort ..

   NOTE: Replace with the compilers you desire.