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[PRE REVIEW]: libecpint: A C++ library for the efficient evaluation of integrals over effective core potentials #3008

Closed whedon closed 3 years ago

whedon commented 3 years ago

Submitting author: @robashaw (Robert A. Shaw) Repository: https://github.com/robashaw/libecpint Version: v1.0.4 Editor: @poulson Reviewers: @felipeZ, @lorenzo-rovigatti Managing EiC: Kyle Niemeyer

: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 @robashaw. Currently, there isn't an JOSS editor assigned to your paper.

@robashaw 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 commented 3 years ago

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 commented 3 years ago

PDF failed to compile for issue #3008 with the following error:

Can't find any papers to compile :-(

whedon commented 3 years ago 
Software report (experimental):

github.com/AlDanial/cloc v 1.88  T=0.83 s (853.2 files/s, 86656.8 lines/s)
-------------------------------------------------------------------------------
Language                     files          blank        comment           code
-------------------------------------------------------------------------------
XML                             72              0              0          31587
C++                             37           1106           1000           7140
reStructuredText               541           8438          13726           4342
XSD                              3            111             10           1175
C/C++ Header                    15            274           1091            934
Python                           4            111             98            410
CMake                           32             68             26            385
YAML                             3              8              8            102
Markdown                         1             21              0             38
Bourne Shell                     1              3              0             30
DOS Batch                        1              8              1             27
XSLT                             1              0              5             10
make                             1              4              6             10
-------------------------------------------------------------------------------
SUM:                           712          10152          15971          46190
-------------------------------------------------------------------------------

Statistical information for the repository 'd169aa1d831559f0cd79f5dd' was
gathered on 2021/02/04.
The following historical commit information, by author, was found:

Author                     Commits    Insertions      Deletions    % of changes
Jens                             1             8             19            0.04
Peter Bygrave                    1            23             10            0.05
Robert Shaw                     38         38052          25918           97.02
Thomas Dresselhaus               2           283            250            0.81
pk                               1             2              0            0.00
robashaw                         2            75              3            0.12
thomas-dresselhaus               2           720            572            1.96

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
Jens                          8          100.0          0.0                0.00
Peter Bygrave                 9           39.1          1.3                0.00
Robert Shaw               11620           30.5          1.5               19.06
Thomas Dresselhaus          212           74.9          1.5                5.66
thomas-dresselhaus          322           44.7          2.0                1.55
kyleniemeyer commented 3 years ago

@whedon generate pdf from branch joss

whedon commented 3 years ago 
Attempting PDF compilation from custom branch joss. Reticulating splines etc...
whedon commented 3 years ago

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

robashaw commented 3 years ago

@robashaw 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).

Possible reviewers taken from the list, based on being comfortable with C++ and having expertise in computational chemistry/electronic structure:

lorenzo-rovigatti felipeZ nicorenaud awgwvk smutao xwang862

kyleniemeyer commented 3 years ago

Thanks @robashaw. We will use this pre-review issue to assign the editor and reviewers.

@meg-simula, can you edit this submission?

kyleniemeyer commented 3 years ago

@whedon invite @meg-simula as editor

whedon commented 3 years ago

@meg-simula has been invited to edit this submission.

meg-simula commented 3 years ago

@kyleniemeyer I'm essentially OOO until March 1 2021. If still relevant, I can handle this after that.

kyleniemeyer commented 3 years ago

@meg-simula ah, I didn't realize, that's alright.

kyleniemeyer commented 3 years ago

Hi @poulson, do you have bandwidth to edit this submission?

kyleniemeyer commented 3 years ago

@whedon invite @poulson as editor

whedon commented 3 years ago

@poulson has been invited to edit this submission.

poulson commented 3 years ago

@whedon assign poulson as editor

whedon commented 3 years ago

OK, the editor is @poulson

poulson commented 3 years ago

Hi Lorenzo (@lorenzo-rovigatti) :wave:.

In addition to you being recommended by Robert Shaw (@robashaw) as an expert reviewer for this submission, your C++/Python project BaggieAnalysis also seems to be quite relevant (https://github.com/lorenzo-rovigatti/baggianalysis).

Please let me know if you would be willing and able to review this submission on "libecpint: A C++ library for the efficient evaluation of integrals over effective core potentials".

poulson commented 3 years ago

Hi Felipe (@felipeZ) :wave:.

In addition to your work on the C++ VOCTA-XTP library (https://github.com/votca/xtp/commits?author=felipeZ), you have been recommended as an expert by Robert Shaw (@robashaw).

Please let me know if you would be willing and able to review this submission on "libecpint: A C++ library for the efficient evaluation of integrals over effective core potentials".

poulson commented 3 years ago

Hi Nicolas (@nicorenaud) :wave:,

While I don't see any C++ projects on your GitHub profile, you have been recommended as an expert reviewer by Robert Shaw (@robashaw) for this submission, entitled "libecpint: A C++ library for the efficient evaluation of integrals over effective core potentials".

Please let me know if you would be willing to accept this invitation to review this C++ computational physics submission.

felipeZ commented 3 years ago

Hi Jack(@poulson) and Robert (@robashaw), I am very happy to help with the review!

lorenzo-rovigatti commented 3 years ago

Hi Jack(@poulson) and Robert (@robashaw),

I'll be happy to help! It'll be my first review so bare with me though :-)

poulson commented 3 years ago

@whedon add @felipeZ as reviewer

whedon commented 3 years ago

OK, @felipeZ is now a reviewer

poulson commented 3 years ago

@whedon add @lorenzo-rovigatti as reviewer

whedon commented 3 years ago

OK, @lorenzo-rovigatti is now a reviewer

poulson commented 3 years ago

@whedon start review

whedon commented 3 years ago

OK, I've started the review over in https://github.com/openjournals/joss-reviews/issues/3039.