Install the Python library¶
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:
The latest develop versions might still be considered beta and might not be published to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
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:
To install an older version of NOMAD (e.g. v0.10.x), you can of use reference the respective version on pypy:
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:
- 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