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pyMBE-dev / pyMBE

pyMBE provides tools to facilitate building up molecules with complex architectures in the Molecular Dynamics software ESPResSo. For an up-to-date API documention please check our website:
https://pymbe-dev.github.io/pyMBE/pyMBE.html
GNU General Public License v3.0
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Prepare release 0.8.0 #73

Closed jngrad closed 3 months ago

jngrad commented 3 months ago

Fixes #66

Adopt Semantic Versioning, Keep a Changelog, Citation File Format (CFF). Zenodo uses CFF to generate authorship information and metadata, when a new release is published by GitHub.

jngrad commented 3 months ago

You may notice in the right column a new button "Cite this repository" that generates a BibTeX record for the code. Ideally, people would cite the JCP paper @article record when mentioning pyMBE in the manuscript introduction, and in the manuscript materials and methods, either cite the Zenodo @misc record when mentioning "pyMBE v0.8.0" or cite the CFF @software record when mentioning "pyMBE main branch". This suggestion is not binding, and your mileage may vary. For the envisioned usage of the CFF BibTeX record, please refer to Appendix B: Software citation use cases in the original CFF paper: Smith et al. 2016, "Software citation principles", doi:10.7717/peerj-cs.86. If that is too confusing, we can also populate the preferred-citation field with a custom BibTeX file, for example the JCP paper, and the GitHub interface would use this field to generate the BibTeX record. My main motivation for adding a CFF file was to automatically populate Zenodo metadata fields with accurate and up-to-date information every time we publish a new release of the software.