https://bugzilla.redhat.com/show_bug.cgi?id=2130607
Bug ID: 2130607
Summary: Review Request: Atomes - An atomistic tool box
Product: Fedora
Version: rawhide
Hardware: All
OS: Linux
Status: NEW
Component: Package Review
Severity: medium
Assignee: [email protected]
Reporter: [email protected]
QA Contact: [email protected]
CC: [email protected]
Target Milestone: ---
Classification: Fedora
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/
Spec URL:
https://github.com/Slookeur/Atomes-rpm-build/raw/main/atomes-fedora.spec
SRPM URL:
https://github.com/Slookeur/Atomes-rpm-build/raw/main/atomes-1.1.5-1.src.rpm
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
--
You are receiving this mail because:
You are always notified about changes to this product and component
You are on the CC list for the bug.
https://bugzilla.redhat.com/show_bug.cgi?id=2130607
_______________________________________________
package-review mailing list -- [email protected]
To unsubscribe send an email to [email protected]
Fedora Code of Conduct:
https://docs.fedoraproject.org/en-US/project/code-of-conduct/
List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines
List Archives:
https://lists.fedoraproject.org/archives/list/[email protected]
Do not reply to spam, report it:
https://pagure.io/fedora-infrastructure/new_issue
