SiQADConnector is a class containing convenient functions for physics engines to interact with the SiQAD GUI. The use of the class is recommended, but ultimately optional as developers may want to implement their own I/O with SiQAD. A Python wrapper generated using SWIG is also been included. Note that SiQADConnector uses Apache License 2.0 as opposed to the GUI's LGPLv3 in order to allow physics engines to use any license compatible with APLv2.
Please keep in mind that SiQAD is still undergoing rapid development. Compatibility is not guaranteed across SiQADConnector and SiQAD versions.
We compile wheels targeting Python versions 3.5 to 3.8 on Linux and Windows. Compiled binaries for macOS are planned for the future.
Currently, the easiest way to acquire SiQADConnector is through PIP (or your preferred Python package manager) from our testing repository:
# Substitute pip with the appropriate command for your platform, e.g. pip3, python3 -m pip, etc.
pip install -i https://test.pypi.org/simple/ siqadtools
We will eventually move this from TestPyPI to the proper PyPI.
You may also download compiled wheels here: TODO add link, and install them through PIP or your preferred Python package manager.
To uninstall, run
# Substitute pip with the appropriate command for your platform
pip uninstall siqadtools
Install dependencies (packages listed are for Ubuntu 18.04 LTS, please adapt to your distribution):
apt-get install swig libboost libboost-dev cmake
pip3 install scikit-build
Run the setup.py script:
python3 setup.py bdist_wheel
Here, bdist_wheel instructs the script to package the compiled package into a wheel for you to install. The compiled wheel is deposited into the dist subdirectory from where you run the script. Install the wheel on your system using your preferred Python package manager, e.g. pip.
To uninstall, run
pip3 uninstall siqadtools
We use AppVeyor, a CI service which has Windows build support, to compile SiQADConnector wheels for distribution on the Windows system. Please refer to our AppVeyor configuration file for our configurations and setup, and adapt to your environment.
Either copy siqadconn.cc and siqadconn.h to your project directory and include siqadconn.h appropriately, or add this repository to your project as a submodule and include siqadconn.h as needed.
Usage examples will be included in the future. In the meantime, please refer to SimAnneal's usage for some examples.
Import SiQADConnector by:
from siqadtools import siqadconn
See ExhaustiveGS and PoisSolvers for some usage examples of SiQADConnector in Python projects.