[REVIEW]: Atomic Simulation Interface (ASI): application programming interface for electronic structure codes

editorialbot commented 1 year ago

Submitting author: !--author-handle-->@PavelStishenko@rkurchin<!--end-editor-- Reviewers: @xwang862, @junghans, @srmnitc Archive: 10.5281/zenodo.7931108

Status

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Markdown: [![status](https://joss.theoj.org/papers/a46f8b3148ab3fe19c0e51f620ba5815/status.svg)](https://joss.theoj.org/papers/a46f8b3148ab3fe19c0e51f620ba5815)

Reviewers and authors:

Please avoid lengthy details of difficulties in the review thread. Instead, please create a new issue in the target repository and link to those issues (especially acceptance-blockers) by leaving comments in the review thread below. (For completists: if the target issue tracker is also on GitHub, linking the review thread in the issue or vice versa will create corresponding breadcrumb trails in the link target.)

Reviewer instructions & questions

@xwang862 & @junghans & @srmnitc, your review will be checklist based. Each of you will have a separate checklist that you should update when carrying out your review. First of all you need to run this command in a separate comment to create the checklist:

@editorialbot generate my checklist

The reviewer guidelines are available here: https://joss.readthedocs.io/en/latest/reviewer_guidelines.html. Any questions/concerns please let @rkurchin know.

✨ Please start on your review when you are able, and be sure to complete your review in the next six weeks, at the very latest ✨

Checklists

📝 Checklist for @xwang862

📝 Checklist for @junghans

📝 Checklist for @srmnitc

rkurchin commented 1 year ago

@editorialbot set 10.5281/zenodo.7931108 as archive

editorialbot commented 1 year ago

Done! archive is now 10.5281/zenodo.7931108

rkurchin commented 1 year ago

@editorialbot recommend-accept

editorialbot commented 1 year ago

Attempting dry run of processing paper acceptance...

editorialbot commented 1 year ago

Reference check summary (note 'MISSING' DOIs are suggestions that need verification):

OK DOIs

- 10.1088/1361-648x/aa680e is OK
- 10.1021/acs.jctc.8b01036 is OK
- 10.1063/5.0012901 is OK
- 10.1016/j.cpc.2017.09.007 is OK
- 10.1016/j.cpc.2020.107459 is OK
- 10.1016/j.cpc.2012.05.007 is OK
- 10.1016/j.softx.2017.11.002 is OK
- 10.1103/PhysRevX.8.041048 is OK
- 10.1021/acs.jctc.8b00908 is OK
- 10.1103/PhysRevLett.114.096405 is OK
- 10.1126/science.aag2302 is OK
- 10.1021/acs.jctc.8b00873 is OK
- 10.1038/s41467-019-12875-2 is OK
- 10.1063/5.0004608 is OK
- 10.1063/5.0005082 is OK
- 10.1063/5.0007045 is OK
- 10.1016/j.cpc.2009.06.022 is OK
- 10.1063/1.5143190 is OK
- 10.1103/PhysRevB.71.035109 is OK
- 10.1002/wcms.93 is OK
- 10.21105/jcon.00069 is OK
- 10.1021/ct400698y is OK
- 10.1021/acs.jctc.1c00751 is OK
- 10.1038/s41524-022-00843-2 is OK
- 10.1038/s41586-020-2649-2 is OK
- 10.1016/j.cpc.2020.107688 is OK
- 10.1021/acs.jctc.1c00834 is OK

MISSING DOIs

- None

INVALID DOIs

- None

editorialbot commented 1 year ago

:wave: @openjournals/bcm-eics, this paper is ready to be accepted and published.

Check final proof :point_right::page_facing_up: Download article

If the paper PDF and the deposit XML files look good in https://github.com/openjournals/joss-papers/pull/4223, then you can now move forward with accepting the submission by compiling again with the command @editorialbot accept

Kevin-Mattheus-Moerman commented 1 year ago

@PavelStishenko I'm the AEiC on this track and here to help pieces the final steps. Below are some items that require your attention.

[x] Can you creat a tagged release on your repository with the label '1.1.0'. As listed here and on the archived version. Your repository currently lists "Tags 0".

PavelStishenko commented 1 year ago

@Kevin-Mattheus-Moerman The tag has been added

rkurchin commented 1 year ago

Ping @Kevin-Mattheus-Moerman are we good to go here?

Kevin-Mattheus-Moerman commented 1 year ago

@rkurchin @PavelStishenko sorry for the delay. Nearly there.

@PavelStishenko Can you check if ommiting auxilary should be omitting auxiliary?

PavelStishenko commented 1 year ago

Thanks @Kevin-Mattheus-Moerman ! The typo is fixed.

Kevin-Mattheus-Moerman commented 1 year ago

@editorialbot generate pdf

editorialbot commented 1 year ago

:point_right::page_facing_up: Download article proof :page_facing_up: View article proof on GitHub :page_facing_up: :point_left:

Kevin-Mattheus-Moerman commented 1 year ago

@editorialbot accept

editorialbot commented 1 year ago

Doing it live! Attempting automated processing of paper acceptance...

editorialbot commented 1 year ago

Ensure proper citation by uploading a plain text CITATION.cff file to the default branch of your repository.

If using GitHub, a Cite this repository menu will appear in the About section, containing both APA and BibTeX formats. When exported to Zotero using a browser plugin, Zotero will automatically create an entry using the information contained in the .cff file.

You can copy the contents for your CITATION.cff file here:

CITATION.cff

``` cff-version: "1.2.0" authors: - family-names: Stishenko given-names: Pavel V. orcid: "https://orcid.org/0000-0003-4653-9899" - family-names: Keal given-names: Thomas W. orcid: "https://orcid.org/0000-0001-8747-3975" - family-names: Woodley given-names: Scott M. orcid: "https://orcid.org/0000-0003-3418-9043" - family-names: Blum given-names: Volker orcid: "https://orcid.org/0000-0001-8660-7230" - family-names: Hourahine given-names: Benjamin orcid: "https://orcid.org/0000-0002-7667-7101" - family-names: Maurer given-names: Reinhard J. orcid: "https://orcid.org/0000-0002-3004-785X" - family-names: Logsdail given-names: Andrew J. orcid: "https://orcid.org/0000-0002-2277-415X" contact: - family-names: Stishenko given-names: Pavel V. orcid: "https://orcid.org/0000-0003-4653-9899" - family-names: Logsdail given-names: Andrew J. orcid: "https://orcid.org/0000-0002-2277-415X" doi: 10.5281/zenodo.7931108 message: If you use this software, please cite our article in the Journal of Open Source Software. preferred-citation: authors: - family-names: Stishenko given-names: Pavel V. orcid: "https://orcid.org/0000-0003-4653-9899" - family-names: Keal given-names: Thomas W. orcid: "https://orcid.org/0000-0001-8747-3975" - family-names: Woodley given-names: Scott M. orcid: "https://orcid.org/0000-0003-3418-9043" - family-names: Blum given-names: Volker orcid: "https://orcid.org/0000-0001-8660-7230" - family-names: Hourahine given-names: Benjamin orcid: "https://orcid.org/0000-0002-7667-7101" - family-names: Maurer given-names: Reinhard J. orcid: "https://orcid.org/0000-0002-3004-785X" - family-names: Logsdail given-names: Andrew J. orcid: "https://orcid.org/0000-0002-2277-415X" date-published: 2023-05-17 doi: 10.21105/joss.05186 issn: 2475-9066 issue: 85 journal: Journal of Open Source Software publisher: name: Open Journals start: 5186 title: "Atomic Simulation Interface (ASI): application programming interface for electronic structure codes" type: article url: "https://joss.theoj.org/papers/10.21105/joss.05186" volume: 8 title: "Atomic Simulation Interface (ASI): application programming interface for electronic structure codes" ```

If the repository is not hosted on GitHub, a .cff file can still be uploaded to set your preferred citation. Users will be able to manually copy and paste the citation.

Find more information on .cff files here and here.

editorialbot commented 1 year ago

🐦🐦🐦 👉 Tweet for this paper 👈 🐦🐦🐦

editorialbot commented 1 year ago

🐘🐘🐘 👉 Toot for this paper 👈 🐘🐘🐘

editorialbot commented 1 year ago

🚨🚨🚨 THIS IS NOT A DRILL, YOU HAVE JUST ACCEPTED A PAPER INTO JOSS! 🚨🚨🚨

Here's what you must now do:

Check final PDF and Crossref metadata that was deposited :point_right: https://github.com/openjournals/joss-papers/pull/4243
Wait a couple of minutes, then verify that the paper DOI resolves https://doi.org/10.21105/joss.05186
If everything looks good, then close this review issue.
Party like you just published a paper! 🎉🌈🦄💃👻🤘

Any issues? Notify your editorial technical team...

Kevin-Mattheus-Moerman commented 1 year ago

Congratulations on this paper @PavelStishenko

Thanks for editing @rkurchin, and a special thanks to the reviewers: @xwang862, @junghans, @srmnitc

editorialbot commented 1 year ago

:tada::tada::tada: Congratulations on your paper acceptance! :tada::tada::tada:

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   :target: https://doi.org/10.21105/joss.05186

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