diff --git a/README.md b/README.md index ee980b59..0e84e859 100644 --- a/README.md +++ b/README.md @@ -12,7 +12,7 @@ This is a plugin for [NOMAD](https://nomad-lab.eu) which contains the base secti ## Getting started -`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 ``` @@ -43,10 +43,6 @@ Install the `nomad-lab` package: uv pip install '.[dev]' ``` -**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). - 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]' @@ -171,4 +167,5 @@ Once you modify your `nomad.yaml` file adding `include`, all the default plugins | Dr. Nathan Daelman | [nathan.daelman@physik.hu-berlin.de](mailto:nathan.daelman@physik.hu-berlin.de) | DFT, Precision | [@ndaelman-hu](https://github.com/ndaelman-hu) | | Dr. Bernadette Mohr | [mohrbern@physik.hu-berlin.de](mailto:mohrbern@physik.hu-berlin.de) | MD, FF | [@Bernadette-Mohr](https://github.com/Bernadette-Mohr) | | Dr. José M. Pizarro | [jose.pizarro@physik.hu-berlin.de](mailto:jose.pizarro@physik.hu-berlin.de) | GW, DMFT, BSE | [@JosePizarro3](https://github.com/JosePizarro3) | +| Dr. Esma B. Boydas | [esma.birsen.boydas@chemie.hu-berlin.de](mailto:esma.birsen.boydas@chemie.hu-berlin.de) | Quantum Chemistry | [@EBB2675](https://github.com/EBB2675) | | Dr. Joseph F. Rudzinski (**Coordinator**) | [joseph.rudzinski@physik.hu-berlin.de](mailto:joseph.rudzinski@physik.hu-berlin.de) | General | [@JFRudzinski](https://github.com/JFRudzinski) |