diff --git a/README.md b/README.md index 4c17c20f..00c56732 100644 --- a/README.md +++ b/README.md @@ -3,3 +3,17 @@ This is a plugin for [NOMAD](https://nomad-lab.eu/nomad-lab/) which contains the base sections schema definitions for materials science simulations. + +## Importing this plug-in into NOMAD + +### For Developers + +In here we will use the term _local path_ to the schema to refer to the root of this project. +Under the default naming convention, this would be `"dependencies/schema/simulation/data"` with respect to the NOMAD root. + +1. Update dependency files: + 1. `pyproject.toml`: add the local path under `[tool.setuptools.packages.find]`. + 2. `MANIFEST.in`: link the local path to this `README.md` file, as well as the `*.py` and `nomad_plugin.yaml` files in the source folder `simulationdataschema`. + 3. `.gitmodules`: add the local path and this project's [URL](https://github.com/nomad-coe/nomad-schema-plugin-simulation-data) to check out the relevant commit. + 4. `.vscode/settings.json`: add the local path under `"python.analysis.extraPaths"` to apply the suggestion tools for the VSCode IDE. +2. Run `./scripts/setup_dev_env.sh` to apply the settings in `pyproject.toml` and `MANIFEST.in`, bind the Python environment and download the necessary modules.