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How to install nomad-lab

We provide a Python package called nomad-lab. The package can be used to run certain NOMAD features within local Python programming environments. It includes the NOMAD parsers and normalizers, or convenience functions to query the processed data on NOMAD.

Released version of the package are hosted on pypi and you can install it with pip (or conda).

To install the newest pypi release, simply use pip: 

pip install nomad-lab

Attention

The latest develop versions might still be considered beta and might not be published to pypi. If you require specific new features you might need to install nomad-lab from our GitLab package registry. To use features of a specific commit or branch, consider to clone and build the project yourself.

To install the latest release developer releases from our GitLab use: 

pip install nomad-lab --extra-index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple

To install an older version of NOMAD (e.g. v0.10.x), you can of use reference the respective version on pypy: 

pip install nomad-lab==1.0.10

Certain functionality might require more dependencies. The basic install above, installs the dependencies for accessing the NOMAD Archive or running most of the NOMAD parsers.

Other functions, e.g. running the NOMAD infrastructure, require additional dependencies. You can use the [extra] notation to install these extra requirements:

pip install nomad-lab[parsing]
pip install nomad-lab[infrastructure]
pip install nomad-lab[dev]
The various extras have the following meaning:

  • parsing, run all parsers, incl. parsers based on HDF5, netCDF, or asr
  • infrastructure, everything to run NOMAD services, see also Oasis documentation
  • dev, necessary to run development and build tools, e.g. pytest, pylint, mypy