[PRE REVIEW]: sumo: Command-line tools for plotting and analysis of ab initio calculations

[whedon]

Submitting author: @utf (Alex Ganose)
Repository: https://github.com/SMTG-UCL/sumo
Version: v1.0.4
Editor: @kyleniemeyer
Reviewers: @jarvist, @cfgoldsmith

Author instructions

Thanks for submitting your paper to JOSS @utf. The JOSS editor (shown at the top of this issue) will work with you on this issue to find a reviewer for your submission before creating the main review issue.

@utf if you have any suggestions for potential reviewers then please mention them here in this thread. In addition, this list of people have already agreed to review for JOSS and may be suitable for this submission.

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. I'm here to help you with some common editorial tasks.

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[whedon]

Attempting PDF compilation. Reticulating splines etc...

[whedon]

PDF failed to compile for issue #682 with the following error:

/app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon/author.rb:36:in block in build_affiliation_string': Problem with affiliations for Alex M Ganose, perhaps the affiliations index need quoting? (RuntimeError) from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon/author.rb:35:in each'
from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon/author.rb:35:in build_affiliation_string' from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon/author.rb:11:in initialize'
from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon.rb:89:in new' from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon.rb:89:in block in parse_authors'
from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon.rb:87:in each' from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon.rb:87:in parse_authors'
from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon.rb:68:in initialize' from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon/processor.rb:29:in new'
from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/lib/whedon/processor.rb:29:in set_paper' from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/bin/whedon:37:in prepare'
from /app/vendor/bundle/ruby/2.3.0/gems/thor-0.20.0/lib/thor/command.rb:27:in run' from /app/vendor/bundle/ruby/2.3.0/gems/thor-0.20.0/lib/thor/invocation.rb:126:in invoke_command'
from /app/vendor/bundle/ruby/2.3.0/gems/thor-0.20.0/lib/thor.rb:387:in dispatch' from /app/vendor/bundle/ruby/2.3.0/gems/thor-0.20.0/lib/thor/base.rb:466:in start'
from /app/vendor/bundle/ruby/2.3.0/bundler/gems/whedon-a31a5c2a9125/bin/whedon:99:in <top (required)>' from /app/vendor/bundle/ruby/2.3.0/bin/whedon:22:in load'
from /app/vendor/bundle/ruby/2.3.0/bin/whedon:22:in `

'

[utf]

@whedon commands

[whedon]

Here are some things you can ask me to do:

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# Compile the paper
@whedon generate pdf

[utf]

@whedon generate pdf

[whedon]

Attempting PDF compilation. Reticulating splines etc...

[whedon]

--> Check article proof 📄 <--

[utf]

As for potential reviewers, the following people are well respected in the field and are familiar with the requirements of modern open-source projects:

@jarvist
@aronwalsh
@bjmorgan
@keeeto
@rgraucrespo
@hautierg

[arfon]

@kyleniemeyer - would you be willing to edit this submission for JOSS?

[utf]

Hi @arfon,

As @kyleniemeyer doesn't seem to be available, I wonder if @katyhuff might also be appropriate as an editor?

[kyleniemeyer]

@arfon sure, I can take this one

[kyleniemeyer]

@whedon assign @kyleniemeyer as editor

[whedon]

OK, the editor is @kyleniemeyer

[kyleniemeyer]

@cfgoldsmith has agreed to review; I am looking for one more based on the list of potentials mentioned above.

[utf]

Of the people I mentioned above, both @jarvist and @bjmorgan are already signed up as reviewers on JOSS.

[jarvist]

I'm happy to help! Though in the interest of full disclosure I know the two primary authors.

[kyleniemeyer]

@jarvist great! I was actually about to email you, so thanks for volunteering. Knowing the authors is fine, as long as you don't have a formal conflict of interest based on our policy: https://github.com/openjournals/joss/blob/master/COI.md

[kyleniemeyer]

@whedon add @jarvist as reviewer

[whedon]

OK, @jarvist is now a reviewer

[kyleniemeyer]

@whedon add @cfgoldsmith as reviewer

[whedon]

OK, @cfgoldsmith is now a reviewer

[kyleniemeyer]

@whedon start review magic-word=bananas

[whedon]

OK, I've started the review over in #717. Feel free to close this issue now!

[kyleniemeyer]

ok @utf @jarvist @cfgoldsmith we will hold the actual review over in #717