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We need to cd into the source directory for ROSETTA. It will be in a path that looks like this but might be slightly different for your release. This is the command we used.
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cd rosetta.source*/main/source |
Now, we will install ROSETTA with SCons. There are many different ways to install ROSETTA. For instance, you could install it with MPI support. There are many options, but this is how you can do a basic install.
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./scons.py -j 24 mode=release bin |
Installing ROSETTA may take 30-60 minutes. Let it work in the background, but stay logged in so it doesn’t time out.
Install and run unit tests for ROSETTA
Unit tests can be used to verify that ROSETTA has installed properly in your /home directory. First, we need to install the unit tests. From the ~/rosetta.source*/main/source, use the following command to install the unit tests. Make sure that you have used Spack to load SCons before running the command below.
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scons cat=test |
When the unit tests finish installing, you can run them using the following command. Before you run this, make sure you have used the module load python/3.10.5 command.
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python test/run.py |
This will initiate the unit tests. It will take several hours for all of the unit tests to finish. Keep an eye on it. At the end, there will be a summary of the results of tests.
Start using ROSETTA
Once you have ROSETTA installed and the unit tests have passed, then you can start using ROSETTA. We recommend starting with the tutorials available in the ROSETTA source code. You can find those tutorials at this path.
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cd ~/rosetta.source*/main/demos/tutorials |