[PRE REVIEW]: aiida-aimall: A Python package for automating workflows for AIMAll software

[editorialbot]

Submitting author: @kmlefran (Kevin Lefrancois-Gagnon)
Repository: https://github.com/kmlefran/aiida-aimall
Branch with paper.md (empty if default branch): paper
Version: v1.0.1
Editor: @HaoZeke
Reviewers: @mkphuthi
Managing EiC: Arfon Smith

Status

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Markdown: [![status](https://joss.theoj.org/papers/d342e23c5e1f7bd3bc9ae8ddfe2f7649/status.svg)](https://joss.theoj.org/papers/d342e23c5e1f7bd3bc9ae8ddfe2f7649)

Author instructions

Thanks for submitting your paper to JOSS @kmlefran. Currently, there isn't a JOSS editor assigned to your paper.

@kmlefran if you have any suggestions for potential reviewers then please mention them here in this thread (without tagging them with an @). You can search the list of people that have already agreed to review and may be suitable for this submission.

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[editorialbot]

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

✅ OK DOIs

- 10.1038/s41597-020-00638-4 is OK
- 10.1021/acs.jcim.3c00987 is OK
- 10.5281/zenodo.8304939 is OK

🟡 SKIP DOIs

- No DOI given, and none found for title: Gaussian˜16 Revision C.01

❌ MISSING DOIs

- Entry without DOI or title found

❌ INVALID DOIs

- None

[editorialbot]

Software report:

github.com/AlDanial/cloc v 1.90  T=0.27 s (243.1 files/s, 48639.3 lines/s)
-------------------------------------------------------------------------------
Language                     files          blank        comment           code
-------------------------------------------------------------------------------
Python                          26            723           1297           3298
Markdown                         5            186              0            536
Jupyter Notebook                 8              0           3978            358
YAML                            10             38             21            300
TOML                             1             18              4            150
reStructuredText                12            905           1013            130
CSS                              1              8              4            118
TeX                              1              0              0             71
make                             1             10              8             23
Bourne Shell                     1              0              0              6
-------------------------------------------------------------------------------
SUM:                            66           1888           6325           4990
-------------------------------------------------------------------------------

Commit count by author:

   384	kmlefran
     7	Kevin Lefrancois-Gagnon

[editorialbot]

Paper file info:

📄 Wordcount for paper.md is 987

✅ The paper includes a Statement of need section

[editorialbot]

License info:

✅ License found: MIT License (Valid open source OSI approved license)

[editorialbot]

👉📄 Download article proof 📄 View article proof on GitHub 📄 👈

[editorialbot]

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[arfon]

@kmlefran - thanks for your submission to JOSS. We're currently managing a large backlog of submissions and the editor most appropriate for your area is already rather busy.

For now, we will need to waitlist this paper and process it as the queue reduces. Thanks for your patience!

[Kevin-Mattheus-Moerman]

@editorialbot invite @HaoZeke as editor

[editorialbot]

Invitation to edit this submission sent!

[Kevin-Mattheus-Moerman]

@kmlefran Dear author, thanks for this submission. I am the AEiC on this track and here to help process the initial steps. I have just invited an editor. However, before we proceed, please can you have a look at the following points:

• Your project appears to lack contributing guidelines at the moment. Please work to add these and to mention/link to them in your README. You could for instance create a CONTRIBUTING.md file (see here for some examples: https://contributing.md/example/).

[kmlefran]

@Kevin-Mattheus-Moerman Thanks for informing me. I have added CONTRIBUTING.md and linked to it in the README

[HaoZeke]

Happy to work on this, thanks for the invite @Kevin-Mattheus-Moerman

[Kevin-Mattheus-Moerman]

@editorialbot assign @HaoZeke as editor

[editorialbot]

Assigned! @HaoZeke is now the editor

[Kevin-Mattheus-Moerman]

@HaoZeke can you start looking for reviewers for this one? Thanks!

[HaoZeke]

@imtambovtcev do you think you could review this one?

[HaoZeke]

@kmlefran sorry for the delay on this, if you have any suggested reviewers please let me know (without @'ing them).

[HaoZeke]

Hi @mkphuthi 👋 would you be interested in and available to review this JOSS submission? We carry out our checklist-driven reviews here in GitHub issues and follow these guidelines: joss.readthedocs.io/en/latest/review_criteria.html
From your work on ASIMTools it would be good to have your opinion.

[HaoZeke]

Hi @BernardoFerreira 👋 would you be interested in and available to review this JOSS submission? We carry out our checklist-driven reviews here in GitHub issues and follow these guidelines: joss.readthedocs.io/en/latest/review_criteria.html
From your work on CRATE it would be good to have your opinion.

[HaoZeke]

Actually as an AiiDA plugin it'd also be fantastic to have anyone from @aiidateam take a look if possible.

[mkphuthi]

Hi @HaoZeke, I can review.

[HaoZeke]

@editorialbot add @mkphuthi as reviewer

Thanks for stepping up, as soon as we have one more reviewer we can get moving on this.

[editorialbot]

@mkphuthi added to the reviewers list!

[mkphuthi]

@editorialbot generate my checklist

[editorialbot]

Checklists can only be created once the review has started in the review issue

[HaoZeke]

Sorry my bad @mkphuthi I need to find one more reviewer.
@Kokookster or @muhrin would you be able to review this?