https://bugzilla.redhat.com/show_bug.cgi?id=2529728
Bug ID: 2529728
Summary: Review Request: trexio - An open-source file format
and library for quantum chemistry data storage
Product: Fedora
Version: rawhide
Hardware: All
OS: Linux
Status: NEW
Component: Package Review
Severity: medium
Priority: medium
Assignee: [email protected]
Reporter: [email protected]
QA Contact: [email protected]
CC: [email protected]
Target Milestone: ---
Classification: Fedora
Spec URL: https://jussilehtola.fedorapeople.org/trexio.spec
SRPM URL: https://jussilehtola.fedorapeople.org/trexio-2.6.1-1.fc44.src.rpm
Fedora Account System Username: jussilehtola
Description:
TREXIO is an open-source file format and library developed for the storage
and manipulation of data produced by quantum chemistry calculations. It was
designed with the goal of providing a reliable and efficient method of
storing and exchanging wave function parameters and matrix elements.
The library consists of a front-end implemented in the C programming language
and two different back-ends: a text back-end and a binary back-end utilizing
the HDF5 library enabling fast read and write speeds. It is compatible with
a variety of platforms and has interfaces for Fortran, Python, and OCaml.
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