[Bug 2130607] Review Request: Atomes - An atomistic tool box

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https://bugzilla.redhat.com/show_bug.cgi?id=2130607

Sébastien Le Roux <sebastien.leroux@xxxxxxxxxxxxxxxx> changed:

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Dear all, 
my name is Sébastien Le Roux and I am computational material scientist. 
I write this message to request a review for my first package, Atomes,
and therefore I need a sponsor. 

Atomes is a Free (Open Source) cross-platform toolbox developed to analyze,
to visualize and to create/edit three-dimensional atomistic models.
More about Atomes here: https://atomes.ipcms.fr/

[EDIT]
To correct the use of RPM fusion lib in the source rpm:

Spec URL: https://github.com/Slookeur/Atomes-GNU/raw/main/atomes.spec

SRPM URL:
https://github.com/Slookeur/Atomes-rpm-build/raw/main/Fedora/atomes-1.1.7-5.fc36.src.rpm

[/EDIT]


I also prepared a copr repository here: 

https://copr.fedorainfracloud.org/coprs/slook/Atomes/

With successful builds for fedora 36 and 37.

Description: 

Atomes: a toolbox to analyze, to visualize 
and to edit/create three-dimensional atomistic models.
It offers a workspace that allows to have many projects opened simultaneously.
The different projects in the workspace can exchange data: 
analysis results, atomic coordinates ...
Atomes also provides an advanced input preparation system 
for further calculations using well known molecular dynamics codes:

    Classical MD : DLPOLY and LAMMPS
    ab-initio MD : CPMD and CP2K
    QM-MM MD : CPMD and CP2K

To prepare the input files for these calculations is likely to be the key, 
and most complicated step towards MD simulations.
Atomes offers a user-friendly assistant to help 
and guide the scientist step by step to achieve this crucial step.

Fedora Account System Username: slook

I am extremely motivated and willing to work to packaged and maintain Atomes
for the Fedora community.  
I have been using Fedora since FC2.

Best regards.

Sébastien Le Roux

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