Changelog: Changed

Changelog: Added

fixed storage of times in archive_to_universe, and recoded Rg value calc and storage in workflow normalizer

We relaxed the version requirements for the basic
package dependenceis. This makes the installation more likely
at the expense of potential  runtime problems.

Changelog: Changed

This moves most deps from nomad-lab[parsing] into nomad-lab.
Now almost all parsers and metainfo can be used from nomad-lab
alone.

This als fixes ArchiveQuery "required" for polymorph sub-sections.

It also reintroduces the old workflow schema to allow backwards compatible
queries for the old workflows.

Changlog: Fixed

Jose Marquez Prieto authored 2 years ago and Lauri Himanen committed 2 years ago

Changelog: Added

Jose Pizarro authored 2 years ago and Lauri Himanen committed 2 years ago

Changelog: Changed

Changelog: Changed

Closes #1152 by adding the `Substance` and `Ensemble` classes with their superclass `System` to `nomad.datamodel.metainfo.eln`. In addition the `SampleID` class was modified to get automatically filled by data from the `metadata.main_author`. 

The `Susbtance class uses the the new `Formula` class from `nomad.atomutils` and two new methods were introduced to this class.

Merge also includes a fix to the GUI for rendering undefined times.

Changelog: Added