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add CITATION.cff file #395

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merged 8 commits into from
Sep 16, 2024
Merged

add CITATION.cff file #395

merged 8 commits into from
Sep 16, 2024

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orbeckst
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@orbeckst orbeckst commented Sep 11, 2024

  • close create CFF citation file #394
  • add all AUTHORS with ORCIDs and affiliation (as far as they are confirmed)
    • order based on AUTHORS
  • add alchemlyb PIs
  • add contributors that were listed in JOSS paper acknowledgements (PR JOSS paper #328) but had NOT been listed in AUTHORS (inserted in chronological order)
  • only add emails for maintainers/PIs
  • add Software Heritage Identifier
  • add paper citation section for MBAR, decorrelation, and JOSS paper JOSS paper #328

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Please let me know if you want to make any changes to your information.

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Comment on lines +30 to +31
- given-names: Travis
family-names: Jensen
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@trje3733 do you want to add any additional information here?

Comment on lines +36 to +38
- given-names: Dominik
family-names: Wille
affiliation: Freie Universität Berlin
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@harlor do you want to add any additional information here?

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@orbeckst orbeckst marked this pull request as draft September 11, 2024 21:37
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codecov bot commented Sep 11, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 98.78%. Comparing base (b1b6d4f) to head (e2d73dc).
Report is 9 commits behind head on master.

Additional details and impacted files
@@           Coverage Diff           @@
##           master     #395   +/-   ##
=======================================
  Coverage   98.78%   98.78%           
=======================================
  Files          28       28           
  Lines        1981     1981           
  Branches      435      435           
=======================================
  Hits         1957     1957           
  Misses          2        2           
  Partials       22       22           

☔ View full report in Codecov by Sentry.
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@orbeckst orbeckst marked this pull request as ready for review September 11, 2024 23:23
@orbeckst orbeckst self-assigned this Sep 11, 2024
@orbeckst orbeckst mentioned this pull request Sep 11, 2024
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Note to self: merge (no squash merge) so that individual commits remain visible in the history in case there are questions about decisions.

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hl2500 commented Sep 13, 2024

Hello @orbeckst, thank you for creating the cff file. It seems my affiliation in the file is not correct. It was listed as UC Irvine rather than the UNC one. I'm wondering if it's possible to change? Thanks.

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@hl2500 thanks for checking, apologies for my mistake. I fixed your affiliation (see below).

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@dotsdl @davidlmobley @mrshirts could you please have a look at the author list here by the end of Monday 9/16? I would like to finish the JOSS paper and this is the very last thing that's needed.

If you need more time please let me know.

If I don't hear anything else by Tuesday morning I'll take this as tacit agreement and we'll make a release #396 and finish the paper #71.

CITATION.cff Outdated Show resolved Hide resolved
orbeckst and others added 6 commits September 13, 2024 16:44
- generated with https://bit.ly/cffinit
- authors and order from AUTHORS
- affiliations and ORCID from JOSS paper
- emails from paper or individuals

Co-authored-by: David L. Dotson <dotsdl@gmail.com>
- inferred DOI from proof
- assume final acceptance in 2024...
- added David Mobley @davidlmobley (original conception and design of alchemlyb)
- added Michael Shirts @mrshirts (original conception and design of alchemlyb)
- CHANGES: bump to 2.3.3
- add reminder to AUTHORS to also update CITATION.cff
Added all authors that were mentioned in the Acknowledgements of the JOSS
paper but were not in AUTHORS

- Wei-Tse Hsu @wehs7661 (2020) for code clean-up in a732380
- Jan Janssen  @jan-janssen (2022) for creating the conda-forge package
- Shujie Fan @VOD555 (2022) for initial code for fractional equilibration time
- Helmut Carter @helmutcarter (2024) for doc fix in #356
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dotsdl commented Sep 14, 2024

LGTM!

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This looks good to me!

@orbeckst
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@xiki-tempula given that you merged PR #381 please update on this PR

Thanks.

@orbeckst orbeckst mentioned this pull request Sep 16, 2024
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AUTHORS entry had been forgotten in PR #381
@orbeckst orbeckst merged commit 0c330cd into master Sep 16, 2024
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@orbeckst orbeckst deleted the add-ciff branch September 16, 2024 20:39
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create CFF citation file
6 participants