First of all, I am just a student who has just entered the material calculation and want to try atomate.
There is a sentence in the installation tutorial: atomate is built on pymatgen, custodian, and FireWorks libraries to run materials science workflows.
Then in the tutorial mentioned about the installation of FireWorks.
But the installation prerequisites did not mention the installation of these three libraries.
So do I need to install these three libraries before installing atomate?
If you “pip install atomate” as per the installation tutorial those libraries will be auto-installed for you, so you don’t necessarily need to install them yourself.
But you can also install them separately (provided they are the correct versions). There is some guidance on this here:
https://atomate.org/developer_installation.html#codes-develop-mode