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Adding Esma to contributors and small hotfix
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@@ -12,7 +12,7 @@ This is a plugin for [NOMAD](https://nomad-lab.eu) which contains the base secti | |
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## Getting started | ||
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`nomad-simulations` can be installed as a PyPI package using `pip`. We require features from the `nomad-lab` package which are not publicly available in PyPI, so an extra flag `--index-url` needs to be specified when pip installing this package: | ||
`nomad-simulations` can be installed as a PyPI package using `pip`: | ||
```sh | ||
pip install nomad-simulations | ||
``` | ||
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@@ -43,10 +43,6 @@ Install the `nomad-lab` package: | |
uv pip install '.[dev]' | ||
``` | ||
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**Note!** | ||
Until we have an official pypi NOMAD release with the plugins functionality make | ||
sure to include NOMAD's internal package registry (via `--index-url` in the above command). | ||
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The plugin is still under development. If you would like to contribute, install the package in editable mode (with the added `-e` flag): | ||
```sh | ||
uv pip install -e '.[dev]' | ||
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@@ -171,4 +167,5 @@ Once you modify your `nomad.yaml` file adding `include`, all the default plugins | |
| Dr. Nathan Daelman | [[email protected]](mailto:[email protected]) | DFT, Precision | [@ndaelman-hu](https://github.com/ndaelman-hu) | | ||
| Dr. Bernadette Mohr | [[email protected]](mailto:[email protected]) | MD, FF | [@Bernadette-Mohr](https://github.com/Bernadette-Mohr) | | ||
| Dr. José M. Pizarro | [[email protected]](mailto:[email protected]) | GW, DMFT, BSE | [@JosePizarro3](https://github.com/JosePizarro3) | | ||
| Dr. Esma B. Boydas | [[email protected]](mailto:[email protected]) | Quantum Chemistry | [@EBB2675](https://github.com/EBB2675) | | ||
| Dr. Joseph F. Rudzinski (**Coordinator**) | [[email protected]](mailto:[email protected]) | General | [@JFRudzinski](https://github.com/JFRudzinski) | |
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