Installation

This wrapper requires OpenFOAM, compiled not only with its third party packages, but also with several add-ons from the Industrial Engineering department at UNIBO. In addition, commit a727b69 from the ontodome library is required. The UNIBO DIN add-ons release v1.0.0 for OpenFOAM are also required.

Since such a set-up is fairly complex, a Dockerfile is provided and is the recommended way of use. It can be used not only to build a docker image where the wrapper can be run but also as a guideline for setting up the environment on your own system. Visit the “Docker” section for more details.

After having installed said requirements, the installation of the wrapper itself is rather simple. Start by cloning this repository

git clone https://github.com/simphony/SimNanoDOME

and then install the Python package (for example, using pip).

pip install simnanodome

pip will take care of automatically installing and/or updating SimPhoNy if needed.

After that, use SimPhoNy’s ontology management tool, pico, to install the ontology that the wrapper requires in order to operate, which is included with the code.

pico install simnanodome/ontology.simnanofoam.yml

Docker

As the installation of OpenFOAM, its third-party add-ons, the UNIBO DIN add-ons, and ontodome is rather complex, a Dockerfile is provided that has a twofold purpose:

• Be used to easily set up the environment and wrapper in a container (a couple of hours is required for the image to build).

• Serve as detailed installation guide if a containerized set-up is not desired.

To build the docker image, clone the SimNanoDOME repository

git clone https://github.com/simphony/SimNanoDOME

and run the following commands.

cd simnanodome
docker build . -t simnanodome

After that, you can spin up a container using the image and access a Python shell within it running the command below.

docker run --rm -it simnanodome python

or access it using a bash shell:

docker run --rm -it simnanodome bash