Merge branch 'master' of github.com:bioexcel/biobb_common

.github/workflows/citation.yaml

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+name: Sync Citation.cff
+
+on:
+  schedule:
+    - cron: '0 0 * * 1' # Runs every Monday
+  push:
+    branches:
+      - master
+
+jobs:
+  sync:
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout repo
+        uses: actions/checkout@v2
+        with:
+          repository: bioexcel/biobb_common
+          path: ./
+
+      - name: Download file using wget
+        run: wget -O ./CITATION.cff https://raw.githubusercontent.com/bioexcel/biobb/master/CITATION.cff
+
+      - name: Check if file has changed
+        run: ls -la ./
+
+      - name: Commit and push changes if file has changed
+        run: |
+          git config --global user.name 'github-actions[bot]'
+          git config --global user.email 'github-actions[bot]@users.noreply.github.com'
+          git diff --exit-code CITATION.cff || (git add CITATION.cff && git commit -m "Updated CITATION.cff" && git push)

CITATION.cff

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+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: "[email protected]"
+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"
+doi: "10.1038/s41597-019-0177-4"
+url: "https://mmb.irbbarcelona.org/biobb/"
+version: 4.2.0
+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: "[email protected]"
+  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

references.jsonld

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+{
+  "@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"
+}