From 349d80f33d5eddd38f8fbac39c1edd9648db40e5 Mon Sep 17 00:00:00 2001 From: Joseph Rudzinski Date: Tue, 24 Sep 2024 15:18:40 +0200 Subject: [PATCH] added cff file for Zenodo publishing (#128) * added cff file for Zenodo publishing * added Esmas orcid * description and author order * title * Zenodo badge setup * added Alvin * citation in Readme * updated citation --------- Co-authored-by: jrudz --- CITATION.cff | 36 ++++++++++++++++++++++++++++++++++++ README.md | 3 +++ 2 files changed, 39 insertions(+) create mode 100644 CITATION.cff diff --git a/CITATION.cff b/CITATION.cff new file mode 100644 index 00000000..c3ed0fb7 --- /dev/null +++ b/CITATION.cff @@ -0,0 +1,36 @@ +cff-version: 1.2.0 +title: NOMAD Simulations +message: >- + If you use this software, please cite it using the + metadata from this file. +type: software +authors: + - given-names: José M. + family-names: Pizarro + orcid: 'https://orcid.org/0000-0002-6751-8192' + - given-names: Esma B. + family-names: Boydas + orcid: 'https://orcid.org/0009-0005-6729-4706' + - given-names: Nathan + family-names: Daelman + orcid: 'https://orcid.org/0000-0002-7647-1816' + - given-names: Alvin Noe + family-names: Ladines + orcid: 'https://orcid.org/0000-0003-0077-2097' + - given-names: Bernadette + family-names: Mohr + orcid: 'https://orcid.org/0000-0003-0903-0073' + - given-names: Joseph F. + family-names: Rudzinski + orcid: 'https://orcid.org/0000-0003-3403-640X' +doi: +repository-code: 'https://github.com/nomad-coe/nomad-simulations' +url: 'https://nomad-coe.github.io/nomad-simulations/' +abstract: >- + `nomad-simulations` is a plugin for the NOMAD software (https://zenodo.org/doi/10.5281/zenodo.8366162) + providing a common data standard and analysis tools for parsed Materials Science and Quantum Chemistry + simulations. This standard is used as a template and is populated by the many available NOMAD parsers to transform their + inputs / outputs into a structured data format. This plugin is community-driven, and users are encourage to + contribute towards providing Findable, Accessible, Interoperable, and Reusable (FAIR) data. + +license: Apache-2.0 \ No newline at end of file diff --git a/README.md b/README.md index fdceed16..8bf9ba1d 100644 --- a/README.md +++ b/README.md @@ -2,6 +2,7 @@ ![](https://coveralls.io/repos/github/nomad-coe/nomad-simulations/badge.svg?branch=develop) ![](https://img.shields.io/pypi/v/nomad-simulations) ![](https://img.shields.io/pypi/pyversions/nomad-simulations) +[![DOI](https://zenodo.org/badge/744481756.svg)](https://zenodo.org/badge/latestdoi/744481756) @@ -160,6 +161,8 @@ plugins: **Note!** Once you modify your `nomad.yaml` file adding `include`, all the default plugins will be disconnected, so you will need to include them as well. +## How to cite this work +Pizarro, J.M., Boydas, E.B., Daelman, N., Ladines, A.N., Mohr, B. & Rudzinski, J.F., NOMAD Simulations [Computer software]. https://doi.org/xxxxx ## Main contributors | Name | E-mail | Topics | Github profiles |