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Setup

Setup Command

The NP³ MS Workflow setup command is used to automatically:

  • Check packages installation
  • Retrieve remaining dependencies
  • Compile the NP3_MSCluster algorithm
  • Unzip and configure UNPD in-silico library
  • Retrieve and configure GNPS2_ALL LC libraries
  • Retrieve spec2vec models

To execute it go to the repository folder, open a terminal window and run the following command:

node np3_workflow.js setup
  • If it runs without any ERROR message you are good to go! Otherwise, look for dependencies problems and retry. If it persists to fail follow the Manual installation or contact the dev team.

Manual Compilation

To manually compile the NP3_MSCluster algorithm, inside the NP³ MS workflow repository go to the NP3_MSCluster folder and in the terminal run:

make clean
make

If it runs without any ERROR message you are good to go! Otherwise, look for dependencies problems and retry with superuser privileges.

Updates

After any update in the NP³ MS workflow, it will be signalized in the repository if the setup command needs to be executed again. This may be necessary to recompile the NP3_MSCluster algorithm or configure the libraries or models to allow the new updates to work.