Joss-reviews: [PRE REVIEW]: matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations

[whedon]

Submitting author: @ml-evs (Matthew L Evans)
Repository: https://github.com/ml-evs/matador
Version: v0.9.6
Editor: @jgostick
Reviewers: @mkhorton
Managing EiC: Kristen Thyng

:warning: JOSS reduced service mode :warning:

Due to the challenges of the COVID-19 pandemic, JOSS is currently operating in a "reduced service mode". You can read more about what that means in our blog post.

Author instructions

Thanks for submitting your paper to JOSS @ml-evs. Currently, there isn't an JOSS editor assigned to your paper.

The author's suggestion for the handling editor is @jgostick.

@ml-evs if you have any suggestions for potential reviewers then please mention them here in this thread (without tagging them with an @). In addition, this list of people have already agreed to review for JOSS and may be suitable for this submission (please start at the bottom of the list).

Editor instructions

The JOSS submission bot @whedon is here to help you find and assign reviewers and start the main review. To find out what @whedon can do for you type:

@whedon commands

[whedon]

Hello human, I'm @whedon, a robot that can help you with some common editorial tasks.

:warning: JOSS reduced service mode :warning:

Due to the challenges of the COVID-19 pandemic, JOSS is currently operating in a "reduced service mode". You can read more about what that means in our blog post.

For a list of things I can do to help you, just type:

@whedon commands

For example, to regenerate the paper pdf after making changes in the paper's md or bib files, type:

@whedon generate pdf

[whedon]

PDF failed to compile for issue #2529 with the following error:

Can't find any papers to compile :-(

[kthyng]

@whedon generate pdf

[whedon]

PDF failed to compile for issue #2529 with the following error:

Can't find any papers to compile :-(

[kthyng]

@whedon check repository

[whedon]

Software report (experimental):

github.com/AlDanial/cloc v 1.84  T=2.79 s (74.2 files/s, 16859.7 lines/s)
-------------------------------------------------------------------------------
Language                     files          blank        comment           code
-------------------------------------------------------------------------------
Python                         150           5750           5580          25541
reStructuredText                16            299            126            541
Jupyter Notebook                10              0           8356            483
YAML                            13             12              1            122
INI                              1              0              0             97
Markdown                         3              5              0             59
JSON                            11              0              0             11
make                             1              4              6             10
Bourne Shell                     2              0              0              8
-------------------------------------------------------------------------------
SUM:                           207           6070          14069          26872
-------------------------------------------------------------------------------


Statistical information for the repository '2529' was gathered on 2020/07/28.
The following historical commit information, by author, was found:

Author                     Commits    Insertions      Deletions    % of changes
Angela Harper                    9           595             52            0.34
JordD04                          6           270             60            0.17
Matthew Evans                 1930        104724          72055           92.73
charmedxi                        5           419            278            0.37
harpaf13                         3            44             38            0.04
matthew                          2             6              4            0.01
me388                          171          4187           2253            3.38
ml-evs                          78          3421           2236            2.97

Below are the number of rows from each author that have survived and are still
intact in the current revision:

Author                     Rows      Stability          Age       % in comments
Angela Harper                75           12.6         18.6                5.33
JordD04                     196           72.6          5.2                3.57
Matthew Evans             35496           33.9         16.6                6.92
matthew                       2           33.3         49.2                0.00

[ml-evs]

@whedon generate pdf from branch joss

[whedon]

Attempting PDF compilation from custom branch joss. Reticulating splines etc...

[whedon]

:point_right: Check article proof :page_facing_up: :point_left:

[kthyng]

Hi @jgostick! You were suggested as editor for this submission. Interested?

[kthyng]

@whedon invite @jgostick as editor

[whedon]

@jgostick has been invited to edit this submission.

[ml-evs]

Hi @kthyng and @jgostick! I'm just having a look through the potential reviewers list (great to see so many!) and I recognise several names in this field who would be able to do a good job (in no particular order):

@bjmorgan
@mkhorton
@mdoucet
@bocklund

Thanks!

EDIT: I've just noticed on @lucydot's profile that she is on maternity leave at the moment (congratulations Lucy!) so I have removed her from the potential reviewers.

[ml-evs]

@whedon check references

[mkhorton]

I'd be happy to take this one, I know @ml-evs via another project as a disclosure

[jgostick]

@mkhorton are you offering to editor this one? If so, go for it.

[mkhorton]

I was offering to review in response to @ml-evs potential reviewers list. I'd be happy to be editor, but I haven't previously taken any editorial role in JOSS

[jgostick]

OK! I'll edit, and invite you to review.

[jgostick]

@whedon assign @jgostick as editor

[whedon]

OK, the editor is @jgostick

[jgostick]

@whedon add @mkhorton as reviewer

[whedon]

OK, @mkhorton is now a reviewer

[jgostick]

I'm still looking for a 2nd reviewer, but I will start this so that @mkhorton can get started.

[jgostick]

@whedon start review

[whedon]

OK, I've started the review over in https://github.com/openjournals/joss-reviews/issues/2563.

[mdoucet]

@jgostick I can be the second reviewer if you still need someone.