Installing VirtualFlow2.0

After you have logged in to your compute node, begin by cloning the vfvs-2 branch and enter the newly created directory:

git clone -b vfvs-2 https://github.com/VirtualFlow/VFVS/

cd VFVS

Create and activate a python virtual environment (all work should be done inside the virtual env): python3 -m virtualenv $HOME/vfvs_env source $HOME/vfvs_env/bin/activate

Install various packages needed for VirtualFlow2.0: python3 -m pip install boto3 pandas pyarrow jinja2

After installation is complete, install AWS-CLI: First, let's make sure that no prior version of AWS-CLI is installed: sudo apt-get remove awscli

Next, download the archive: curl "https://awscli.amazonaws.com/awscli-exe-linux-x86_64.zip" -o "awscliv2.zip" When finished, simply unzip the archive: unzip awscliv2.zip and install: sudo ./aws/install To check that your installation is successful, you can run: aws --version

The above command should generate an output similar to: aws-cli/2.15.1 Python/3.11.6 Linux/5.15.0-1031-gcp exe/x86_64.ubuntu.22 prompt/off Next you must configure AWS-CLI: aws configure You have to define the following (the keys should match the ones you use in your local version of aws-cli):

AWS Access Key ID [None]: AWS Secret Access Key [None]: Default region name [None]: us-east-2 Default output format [None]: Congratulations, you now have a fully configured version of VF2.0! We will now proceed to the next step, setting up a docking run.