init commit for citation.

.github/workflows/publish.yml

@@ -29,6 +29,26 @@ jobs:
       run: |
         curl -LsSf https://astral.sh/uv/install.sh | sh
         uv pip install build
+    - name: Git tag version
+      id: git_tag_version
+      run: |
+        # Extract the version from the tag (e.g., 'v1.0.0' becomes '1.0.0')
+        GIT_TAG_VERSION=${GITHUB_REF#refs/tags/v}
+        echo "GIT_TAG_VERSION=$GIT_TAG_VERSION" >> $GITHUB_ENV
+        echo "Version from Git tag: $GIT_TAG_VERSION"
+    - name: Citation version
+      id: citation_version
+      run: |
+        # Parse the version from the CITATION.cff file
+        CITATION_VERSION=$(grep '^version:' CITATION.cff | cut -d' ' -f2)
+        echo "CITATION_VERSION=$CITATION_VERSION" >> $GITHUB_ENV
+        echo "Version from CITATION.cff: $CITATION_VERSION"
+    - name: Compare versions
+      run: |
+        if [ "$GIT_TAG_VERSION" != "$CITATION_VERSION" ]; then
+          echo "Version mismatch: Git tag version is $GIT_TAG_VERSION, CITATION.cff version is $CITATION_VERSION"
+          exit 1
+        fi
     - name: Build package
       run: |
         git reset --hard HEAD

CITATION.cff

@@ -0,0 +1,87 @@
+cff-version: 1.2.0
+title: A Python Library for NeXus-Compliant Experimental Data Conversion and Integration with NOMAD Platform
+message:
+  If you use this software, please cite it using the
+  metadata from this file.
+type: software
+version: 0.7.2
+authors:
+  - given-names: Sherjeel
+    family-names: Shabih
+    orcid: 'https://orcid.org/0009-0008-6635-4465'
+  - given-names: Florian
+    family-names: Dobener
+    orcid: 'https://orcid.org/0000-0003-1987-6224'
+  - given-names: Markus
+    family-names: Scheidgen
+    orcid: 'https://orcid.org/0000-0002-8038-2277'
+  - given-names: Andrea
+    family-names: Albino
+    orcid: 'https://orcid.org/0000-0001-9280-7431'
+  - given-names: Sandor
+    family-names: Brockhauser
+    orcid: 'https://orcid.org/0000-0002-9700-4803'
+  - given-names: Sebastian
+    family-names: Brückner
+    orcid: 'https://orcid.org/0000-0002-5969-847X'
+  - given-names: Theodore
+    family-names: Chang
+    orcid: 'https://orcid.org/0000-0002-4911-0230'
+  - given-names: Ádám
+    family-names: Fekete
+    orcid: 'https://orcid.org/0000-0002-6263-897X'
+  - given-names: Lev
+    family-names: Ginzburg
+    orcid: 'https://orcid.org/0000-0001-8929-1040'
+  - given-names: Tamás
+    family-names: Haraszti
+    orcid: 'https://orcid.org/0000-0002-7095-4358'
+  - given-names: Markus
+    family-names: Kühbach
+    orcid: 'https://orcid.org/0000-0002-7117-5196'
+  - given-names: Ron
+    family-names: Hildebrandt
+    orcid: https://orcid.org/0000-0001-6932-604X
+  - given-names: Sabine
+    family-names: Maier
+    orcid: 'https://orcid.org/0000-0001-9589-6855'
+  - given-names: José A.
+    family-names: Márquez
+    orcid: 'https://orcid.org/0000-0002-8173-2566'
+  - given-names: Rubel
+    family-names: Mozumder
+    orcid: 'https://orcid.org/0009-0007-5926-6646'
+  - given-names: Lukas
+    family-names: Pielsticker
+    orcid: 'https://orcid.org/0000-0001-9361-8333'
+  - given-names: Laurenz
+    family-names: Rettig
+    orcid: 'https://orcid.org/0000-0002-0725-6696'
+  - given-names: Heiko B.
+    family-names: Weber
+    orcid: 'https://orcid.org/0000-0002-6403-9022'
+
+# doi: Not available yet
+repository-code: 'https://github.com/FAIRmat-NFDI/pynxtools'
+# url: Not available yet
+abstract:
+
+  pynxtools is a Python package that provides core functionalities for converting experimental
+  data into HDF5 files that are compliant with NeXus application definitions
+  (https://manual.nexusformat.org/classes/applications/index.html). During the data conversion
+  process it performs data verification (e.g., checking for expected data types) to ensure
+  compliance with the chosen NeXus application definition. In addition to its standalone
+  capabilities, pynxtools offers an interface for developing custom reader plugins to convert
+  experimental raw data into structured HDF5 formats. The package can also be used as a plugin
+  for the NOMAD platform (https://nomad-lab.eu/nomad-lab/), a distributed web-based system for
+  managing materials science data, allowing users to convert experimental data directly into
+  the NOMAD metainfo format. The resulting HDF5 files are parsed and stored in the NOMAD central
+  database, ensuring that the data remains findable, accessible, interoperable, and reusable (FAIR).
+
+  This work is part of the FAIRmat project (project ID 460197019), funded by the Deutsche
+  Forschungsgemeinschaft (DFG, German Research Foundation)
+  (https://gepris.dfg.de/gepris/projekt/460197019?language=en). Visit the
+  [FAIRmat page](https://www.fairmat-nfdi.eu/fairmat/about-fairmat/consortium-fairmat) for more info.
+
+
+license: Apache-2.0