Release rare-0-2

.github/workflows/release.yml

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+name: release
+
+on:
+  push:
+    tags:
+      - v[0-9]*-[0-9]*
+
+env:
+  SKF_SET_NAME: "${{ github.event.repository.name }}"
+
+jobs:
+
+  skf-archive:
+
+    runs-on: ubuntu-latest
+
+    steps:
+
+    - name: Checkout sk set
+      uses: actions/checkout@v4
+
+    - name: Get version number
+      run: |
+        GIT_TAG=$(git describe --tags --match 'v[0-9]*-[0-9]*')
+        SKF_SET_VERSION=${GIT_TAG#v}"
+        echo "SKF_SET_VERSION=${SKF_SET_VERSION} >> ${GITHUB_ENV}
+        echo "ARCHIVE_NAME=${SKF_SET_NAME}-${SKF_SET_VERSION}" >> ${GITHUB_ENV}
+
+    - name: Create archive
+      run: |
+        mkdir -p _build/${ARCHIVE_NAME}
+        cp $(find . -maxdepth 1 -not -type 'd') _build/${ARCHIVE_NAME}
+        cp skfiles/*.skf _build/${ARCHIVE_NAME}
+        tar -C _build -c -v -J -f ${ARCHIVE_NAME}.tar.xz ${ARCHIVE_NAME}
+        # mkdir -p _build/${ARCHIVE_NAME}-extras
+        # cp -r extras/* _build/${ARCHIVE_NAME}-extras
+        # tar -C _build -c -v -J -f ${ARCHIVE_NAME}-extras.tar.xz ${ARCHIVE_NAME}-extras
+
+    - name: Create release
+      uses: softprops/action-gh-release@v2
+      with:
+        name: ${{ env.ARCHIVE_NAME }}
+        preserve_order: True
+        files: |
+          ${{ env.ARCHIVE_NAME }}.tar.xz
+          # ${{ env.ARCHIVE_NAME }}-extras.tar.xz
+        body_path: RELEASE.md
+
+

CHANGELOG.md

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+# Changelog
+
+## rare-0-2
+
+First public release under CC-BY-SA license

README

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+(c) 2017, Thomas Frauenheim, Universität Bremen
+All rights reserved
+
+This work is licensed under the Creative Commons Attribution-ShareAlike 4.0
+International License. To view a copy of this license, consult the LICENSE file
+or visit http://creativecommons.org/licenses/by-sa/4.0/ .
+
+NOTE: The rights holder(s) for this work explicitly require that the attribution
+conditions of this license are enforced. Use in part or in whole of this data is
+permitted only under the condition that the scientific background of the
+Licensed Material will be CITED IN ANY PUBLICATIONS ARISING FROM ITS USE. The
+required references are specified in this file and must be included in resulting works.
+
+
+SVN repository information:
+---------------------------
+$Id: README 3075 2008-11-11 17:47:38Z niehaus $
+$URL: svn+ssh://svn/slako/tags/skful/rare-0-2/README $
+
+This set has been developed for the simulation of rare earth defects in GaN
+[PRB07, PHD07]. Tests and results can be found in [PSSC07, JPCA07], while a
+proper validation of the set can be found in [PHD07].
+
+Relevant Publications
+---------------------
+
+[PRB07]  Phys. Rev. B; 76; pp. 155128 (2007)
+[PSSC07] Phys. Stat. Sol. (c); 5; pp. 2358 (2008)
+[JPCA07] J. Phys. Chem. A.; 111; 5665 (2007)
+[PHD07]  Simone Sanna, Ph.D Thesis, Univesitaet Paderborn (2007).
+
+The set works quite well for the simulation of geometric and electronic
+structure of the rare earth point defects in hexagonal GaN. The parameters are
+intended to be used in the framework of the LDA+U implementation of DFTB.
+The set is intended to be used for solid state simulations and not for
+molecules. The reliability in the simulation of surfaces is to be verified.
+
+Required references
+-------------------
+*-* [PRB07]

RELEASE.md

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+# Parameter set rare-0-2
+
+Density Functional Tight Binding (DFTB) parameter set for calculating rare earths with LDA+U.
+
+Before applying it in your work, **consult the [README](README) file to ensure correct usage**.
+
+
+## License Information
+
+The parameter set is distributed under the [Creative Commons Attribution-ShareAlike 4.0 International (CC-BY-SA)](LICENSE) license.
+
+**Important Note:** The creators of this work require that you **adhere to the attribution requirements** specified by this license. If you use this data, either in part or in full, in any research or publication, you must properly cite the scientific references associated with this material. **The necessary citations are listed in the [README](README) file and must be included in all resulting publications.**