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Changed the config mechanism to delay validation until all data is read, streamlined configuration logic, and improved use of pydantic validators.

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Changed the configuration loading logic to support partial updates that are validated only once the full configuration is loaded.

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Ahmed Ilyas authored 1 year ago and Jose Marquez Prieto committed 1 year ago

This adds the perovskite solar cell database schema as a submodule from a nomad-schema-plugin repository. It does **not** remove the schema files from the source code yet. 

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Sherjeel Shabih authored 1 year ago and Lauri Himanen committed 1 year ago

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Apply changes made to `parsers/electronic/electronicparsers/fhiaims` in https://github.com/nomad-coe/electronic-parsers/commit/2a64416b0d78260c352034b0a76b5fa728645d4c and https://github.com/nomad-coe/electronic-parsers/commit/ad5533e7f16e7ba8100e68c2ca8139f248a4d23c

We already kinda described parsers like plugins via
MatchingParserInterface. This commits adds a Pydantic config
model called Parser (inheriting from Plugin) in front of
MatchingPerserInterface. This commit moves the interface
definitions from nomad.parsing.parsers into the config under
nomad.config.plugins. It also adds a simple schema plugin
model. But there are no existing schemas yet.

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This removes the gui artifacts from the gui build. The artifacts are loaded from the application and therefore depend on the application configuration and not the current build. This should allow us to load plugins at application start that influece the gui artifacts.
Include prod gui build source maps.

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* removing `env.js` from the repository
* removing `matid` dependency form the parser packages
* converting python dependency check job into manual job

- switching to `pyproject.toml` for the python setup process [PEP 621](https://peps.python.org/pep-0621/)
- storing gui artifacts to avoid cyclic dependency
- using dynamic version based the git status using [setuptools-scm](https://pypi.org/project/setuptools-scm/)
- fix python pacakge conflicts by using [pip-tools](https://github.com/jazzband/pip-tools)
- Multi stage docker build  
- CI/CD: switching to the built image for testing
- cleanup refactoring (`.gitignore`, `MANIFEST.in`, `scripts`, etc.)

Not to stip shared objects to check if h5py works now

Not to stip h5py shared objects

nexus parser with definiotions in a fork

nexusparser: updated setup.py

add nexusparser package data files also into nomad's MANIFEST.in

recursive flag for git submodule is also needed at Install tests

Refactored the setup.py. Using compiled arguments from deps, layers of extras. Some import refactoring to make the extra layers work.