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Description
- The workflow managers (including
pyiron_atomistics) should save their version as part of metadata in the hdf5 files. - In the case of
pyiron_workflow, an environment file would also be needed since the tools in the nodes are not dependencies of the core module. - The stuff mentioned above should be part of the core modules so that: 1. this metadata is generated at the time of execution, 2. the burden does not fall on the user to remember to generate this metadata
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