Port citation to CITATION.cff format
Description of work Migrate citations to standard CITATION.cff format
Fixes N/A
To test No code changes. Verify details. Can add ORCIDs, should add all contributors?, etc
The MDANSE_GUI package was written from scratch and I am pretty confident that the code of the GUI contains contributions from the following authors, listed alphabetically: Raunakk Banerjee Maciej Bartkowiak Rob Buchanan Chi Y. Cheng Eric Pellegrini Jacob Wilkins
In the case of MDANSE package and the documentation, I am not always able to attribute code to a specific author. This is the largest list of possible MDANSE authors that I managed to come up with, listed alphabetically: Bachir Aoun Raunakk Banerjee Maciej Bartkowiak Rob Buchanan Vania Calandrini Paolo Calligari Chi Y. Cheng Miguel Angel Gonzales Gael A. Goret Konrad Hinsen Mark Johnson Gerald Kneller Franz Lang Ashley Meigh Sanghamitra Mukhopadhyay Krzysztof Murzyn Eric Pellegrini Remi Perenon Tomasz Rog Slawomir Stachura Rastislav Turanyi Jacob Wilkins
Ideally, I would like to ask everyone mentioned above if they want to be included in the list of MDANSE authors. However, so far I have not managed to find contact details for Bachir Aoun, Vania Calandrini, Gael A. Goret, Krzysztof Murzyn, Tomasz Rog and Slawomir Stachura.
@khinsen @gonzalezma @sanghamitra-mukhopadhyay @franzlang @mark-johnson-1966 @raunakkbanerjee @ashmeigh @eurydice76 @RastislavTuranyi @perenon please let me know:
- Do you agree to your name being included in the list of MDANSE authors?
- If so, what affiliation should we use in connection to your name?
- Are there any other details you would like us to include (e.g. ORCID number)?
- Can you think of any other names that are missing from the list above and should be included?
- Do you know how to contact some of the people mentioned here? (If you do, could you send them a link to this PR?)
You can add comments here, or if you prefer you are also welcome to email us using the [email protected] address.
- Do you agree to your name being included in the list of MDANSE authors? No problem for me, but in my case I don't know if I 'deserve' it, in the sense that I don't think that there is a single line of code coming from me. I guess if one counts the documentation or considers the collaboration in a large sense, I maybe considered among the authors. However, as there is already a long list, perhaps one should make a distinction between main authors and 'external' contributors, in order to not dilute the effort of the main authors among a very long list.
- If so, what affiliation should we use in connection to your name? Institut Laue-Langevin 71 avenue des Martyrs 38042 Grenoble Cedex 9 France
- Are there any other details you would like us to include (e.g. ORCID number)? ORCID: 0000-0002-3478-0215
- Can you think of any other names that are missing from the list above and should be included? No
- Do you know how to contact some of the people mentioned here? (If you do, could you send them a link to this PR?) I will try to contact Bachir Aoun, Vania Calandrini and Gael Goret.
Hello all, thanks @gonzalezma for following up the issue. No problem to include my name, I effectively contribute to the first version of MDANSE (10 years ago changed from the name nMolDyn) working with Eric Pellegrini. We even publish a nice article on it : https://pubs.acs.org/doi/abs/10.1021/acs.jcim.6b00571 Could you reference my personnal email [email protected] ? I'm no longer belong to a scientific institut (working in the industry now), so no affiliation and ORCID either. nota-bene : I have no middle name : simply Gael Goret. Thank you.
This is a tough question because academic and FLOSS conventions for authorship are different. By academic standards, I didn't contribute anything to MDANSE since it started under that name, and therefore I am not an author. My contribution was to nMOLDYN, from which MDANSE started as a fork. By academic standards, the correct way to handle this is to acknowledge the origin of MDANSE in nMOLDYN and cite nMOLDYN authors at that point.
By FLOSS standards, anyone who contributed in whatever way to the current state of the codebase is a contributor (I don't see the term "author" used much).
This difference relates to different consequences. In academia, an author is credited for work but also assumes responsibility for its quality. In FLOSS, quality control is seen as coming out of a collective process rather than from individual responsibility. And FLOSS licenses downplay responsibility by clearly rejecting its legal sides.
Since CITATION.cff is about citation in academic works, I take the role of the academic and therefore do not consider myself a co-author of MDANSE.
As for the other people you mention, Tomasz Róg sadly passed away a few years ago. Krzysztof Murzyn is at Jagellonian Univerity Kraków, and since his e-mail is cited on public Web pages (e.g. here), I don't mind quoting it here: [email protected]. I don't have contact information for Sławomir Stachura, but his ResearchGate profile says that he works at Ardigen, so it should be possible to reach him there.
As for the other people you mention, Tomasz Róg sadly passed away a few years ago. Krzysztof Murzyn is at Jagellonian Univerity Kraków, and since his e-mail is cited on public Web pages (e.g. here), I don't mind quoting it here: [email protected]. I don't have contact information for Sławomir Stachura, but his ResearchGate profile says that he works at Ardigen, so it should be possible to reach him there.
Thank you for the contact information. Sorry to hear about Tomasz. I will contact Krzysztof and Sławomir to let them know about this PR.
This is Bachir Aoun
Do you agree to your name being included in the list of MDANSE authors? If nmoldyn authors/developers are considered authors, then yes.
If so, what affiliation should we use in connection to your name? fullrmc LLC, Dallas, Texas 75002, USA
Are there any other details you would like us to include (e.g. ORCID number)? ORCID: https://orcid.org/0000-0001-8965-9423
Can you think of any other names that are missing from the list above and should be included? No
Do you know how to contact some of the people mentioned here? (If you do, could you send them a link to this PR?) No
Do you agree to your name being included in the list of MDANSE authors?
- Yes
If so, what affiliation should we use in connection to your name?
- Science and Technology Facilities Council
Are there any other details you would like us to include (e.g. ORCID number)?
- No
Can you think of any other names that are missing from the list above and should be included?
- No
Do you know how to contact some of the people mentioned here? (If you do, could you send them a link to this PR?)
- No
Do you agree to your name being included in the list of MDANSE authors?
Yes of course
If so, what affiliation should we use in connection to your name?
Institut Laue Langevin
Are there any other details you would like us to include (e.g. ORCID number)?
No
Can you think of any other names that are missing from the list above and should be included?
I think to give more recognition for the hard work that has been actually done by the core people of the project, the ones who did nothing or few on the project should intuitively by themselves not propose to be in the authors list. For instance, I fully understand and appreciate the positions of @bachiraoun or @gonzalezma or @khinsen who recognize that their contributions to the project may not deserve to be considered as an authorship. For some others, I do not really understand when I see their true contribution in term of serious coding as showed by their commit history.
Do you know how to contact some of the people mentioned here? (If you do, could you send them a link to this PR?)
No
Based on the answers so far, I would say that on average the nMOLDYN authors prefer what @khinsen summarised above as the academic convention of authorship, and they would like to be mentioned specifically in connection to nMOLDYN. The nMOLDYN authors have already been acknowledged in the README.md file, which is also the front page of the project on GitHub. What kind of mention should be included within a CITATION.cff file? Looking at the description of the references section of CITATION.cff, it seems that nMOLDYN could be included there.
@MBartkowiakSTFC Speaking strictly for myself, and more as a supporter of the CITATION.cff inititiative than as an nMOLDYN author: yes, I agree, the references section is the right place.
I am unsure what to make of the discussion, so feel free to include or exclude me as you like - I'll leave that up to you. Though if you want to add me, you can use STFC as affiliation (I don't have any other details).
Hello, my turn to answer this thread
Do you agree to your name being included in the list of MDANSE authors?
Yes. However, I would like to add that my contribution was time and content limited. I worked on the code base from late 2017 to 2020, (so after the first -and so far only- MDANSE publication, 2017, and before the Python3 refactoring). My main contribution was the adaptation of MDANSE (or more precisely MMTK and ScientificPython parts) to numpy 1.9.0 and later, jointly with @eurydice76. Then, it consisted mainly in maintenance and bugfixing.
If so, what affiliation should we use in connection to your name?
Institut Laue Langevin
Are there any other details you would like us to include (e.g. ORCID number)?
No
Can you think of any other names that are missing from the list above and should be included?
No
Do you know how to contact some of the people mentioned here? (If you do, could you send them a link to this PR?)
No
Overall, I think that this is close to a final version. We agreed that CITATION.cff files follow the academic approach. In this framework, there are other ways of contributing to the project than just writing the code, as listed here: https://credit.niso.org I would be happy to proceed with the current contents of the files.
There is one more thing I would like to clarify. It seems that over 100 commits in the MDANSE git repository were made by Jamie Hall. I can see Jamie being acknowledged in the MDANSE paper 10.1021/acs.jcim.6b00571 together with Fabien Pinet and Yannick Raoul, who did not show up directly in the git history when we checked. @eurydice76 would you be able to tell us more about what contributions Jamie, Fabien and Yannick made to MDANSE?
Sorry for the late answer. About the contribution of Jamie, Fabien and Yannick:
- Jamie and Fabien: help to setup the gitlab build server @ ILL
- Yannick: help to setup the MacOS build @ ILL