From 6245d46608ce5a04edd88a5e3bda7802a42acde2 Mon Sep 17 00:00:00 2001
From: gbayarri <genis.bayarri@irbbarcelona.org>
Date: Mon, 27 May 2024 15:07:53 +0200
Subject: [PATCH] citation

---
 CITATION.cff      | 103 ++++++++++++++++++++++++++++++++++++++++++++++
 references.jsonld |  11 +++++
 2 files changed, 114 insertions(+)
 create mode 100644 CITATION.cff
 create mode 100644 references.jsonld

diff --git a/CITATION.cff b/CITATION.cff
new file mode 100644
index 0000000..68970fc
--- /dev/null
+++ b/CITATION.cff
@@ -0,0 +1,103 @@
+# YAML 1.2
+---
+abstract: BioExcel Building Blocks (BioBB) library. BioBB's are built as Python wrappers to provide an interoperable architecture. BioBB's have been integrated in a chain of usual software management tools to generate data ontologies, documentation, installation packages, software containers and ways of integration with workflow managers, that make them usable in most computational environments.
+authors:
+  - affiliation: Barcelona Supercomputing Center (BSC)
+    family-names: Andrio
+    given-names: Pau
+    orcid: https://orcid.org/0000-0003-2116-3880
+  - affiliation: Institute for Research in Biomedicine (IRB Barcelona)
+    family-names: Hospital
+    given-names: Adam
+    orcid: https://orcid.org/0000-0002-8291-8071
+  - affiliation: Institute for Research in Biomedicine (IRB Barcelona)
+    family-names: Bayarri
+    given-names: Genís
+    orcid: https://orcid.org/0000-0003-0513-0288
+  - affiliation: Institute for Research in Biomedicine (IRB Barcelona)
+    family-names: García
+    given-names: Agustín
+    orcid: https://orcid.org/0009-0002-2159-965X
+  - affiliation: Institute for Research in Biomedicine (IRB Barcelona), University
+      of Barcelona (UB)
+    family-names: Orozco
+    given-names: Modesto
+    orcid: https://orcid.org/0000-0002-8608-3278
+  - affiliation: Barcelona Supercomputing Center (BSC), University of Barcelona (UB)
+    family-names: Gelpí
+    given-names: Josep Ll.
+    orcid: https://orcid.org/0000-0002-0566-7723
+    email: gelpi@ub.edu
+cff-version: 1.2.0
+date-released: 2019-09-10
+keywords:
+  - BioExcel
+  - BioBB
+  - Bioinformatics
+  - Computational Biology
+  - Biomolecular Workflows
+license: Apache-2.0
+message: If you use this dataset, please cite it using the metadata from this file.
+repository-code: https://github.com/bioexcel/biobb
+title: BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows
+preferred-citation:
+  type: article
+  authors:
+    - affiliation: Barcelona Supercomputing Center (BSC)
+      family-names: Andrio
+      given-names: Pau
+      orcid: https://orcid.org/0000-0003-2116-3880
+    - affiliation: Institute for Research in Biomedicine (IRB Barcelona)
+      family-names: Hospital
+      given-names: Adam
+      orcid: https://orcid.org/0000-0002-8291-8071
+    - affiliation: Barcelona Supercomputing Center (BSC)
+      family-names: Conejero
+      given-names: Javier
+      orcid: https://orcid.org/0000-0001-6401-6229
+    - affiliation: Barcelona Supercomputing Center (BSC)
+      family-names: Jordà
+      given-names: Luis
+      orcid: https://orcid.org/0000-0002-9407-9703
+    - affiliation: Barcelona Supercomputing Center (BSC)
+      family-names: Del Pino
+      given-names: Marc
+      orcid: https://orcid.org/0000-0001-5565-7577
+    - affiliation: Barcelona Supercomputing Center (BSC)
+      family-names: Laia
+      given-names: Codó
+      orcid: https://orcid.org/0000-0002-6797-8746
+    - affiliation: University of Manchester (UOM)
+      family-names: Soiland-Reyes
+      given-names: Stian
+      orcid: https://orcid.org/0000-0001-9842-9718
+    - affiliation: University of Manchester (UOM)
+      family-names: Goble
+      given-names: Carole
+      orcid: https://orcid.org/0000-0003-1219-2137
+    - affiliation: Barcelona Supercomputing Center (BSC)
+      family-names: Lezzi
+      given-names: Daniele
+      orcid: https://orcid.org/0000-0001-5081-7244
+    - affiliation: Barcelona Supercomputing Center (BSC)
+      family-names: Badia
+      given-names: Rosa M
+      orcid: https://orcid.org/0000-0003-2941-5499
+    - affiliation: Institute for Research in Biomedicine (IRB Barcelona), University
+        of Barcelona (UB)
+      family-names: Orozco
+      given-names: Modesto
+      orcid: https://orcid.org/0000-0002-8608-3278
+    - affiliation: Barcelona Supercomputing Center (BSC), University of Barcelona (UB)
+      family-names: Gelpí
+      given-names: Josep Ll.
+      orcid: https://orcid.org/0000-0002-0566-7723
+      email: gelpi@ub.edu
+  doi: 10.1038/s41597-019-0177-4
+  journal: Nature Scientific Data
+  month: 9
+  start: 169
+  title: BioExcel Building Blocks, a software library for interoperable biomolecular simulation workflows
+  issue: 1
+  volume: 6
+  year: 2019
diff --git a/references.jsonld b/references.jsonld
new file mode 100644
index 0000000..1546f4a
--- /dev/null
+++ b/references.jsonld
@@ -0,0 +1,11 @@
+{
+  "@context": "http://schema.org",
+  "@type": "SoftwareApplication",
+  "name": "BioExcel Building Blocks",
+  "description": "The BioExcel Building Blocks (BioBB) library is a collection of portable wrappers on top of common biomolecular simulation tools.",
+  "url": "https://mmb.irbbarcelona.org/biobb",
+  "applicationCategory": "Computational Biology tool",
+  "citation": "https://www.nature.com/articles/s41597-019-0177-4",
+  "license": "https://www.apache.org/licenses/LICENSE-2.0",
+  "softwareVersion": "4.2.0"
+}
\ No newline at end of file