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This package contains a Fortran interface to obtain molecular geometries used for testing.
ForUtils is a modern Fortran utility library that provides essential tools for scientific computing and data processing. It offers Python-like convenience functions and object-oriented interfaces for common programming tasks in Fortran 2003/2008 programs.
Key Features:
ArrayUtils - find (minimal/maximal) index of an element in an array
FileUtils - classes for handling file access, python-like loadtxt/savetxt functions
IniObjects - read/write name=value configuration files with inheritance, array and default value support
MatrixUtils - read/write matrices and interface to some BLAS/LAPACK routines
MiscUtils - utility functions for optional arguments
MpiUtils - wrappers for MPI-routines to compile with(out) MPI library
ObjectLists - lists of arbitrary objects including specializations for vectors
RandUtils - some functions to generate random numbers
RangeUtils - maintain sets of equally spaced intervals, e.g. for integration ranges
StringUtils - utilities for strings, like concat of distinct types a.s.o.
mctc-lib (modular computation tool chain library) is a Fortran library for operating on molecular structures and reading and writing common geometry file formats.
This library provides an implementation of TOML data serialization and deserialization in Fortran.
This package provides an easy to follow library to make Fortran easier in general with wrapped interfaces, sorting routines, kD-Trees, and other algorithms to handle scientific data and concepts. The library contains core fortran routines and object-oriented classes.
This library provides an implementation of the DFT-D4 dispersion correction with both a Fortran and a C interface.
This library implements an electronegativity equilibration model to calculate partial charges used in the DFT-D4 model.
This library provides an implementation of the https://www.chemie.uni-bonn.de/grimme/de/software/dft-d3/ dispersion correction.
Salut is a link-local XMPP (XEP-0174) connection manager for the Telepathy framework, currently supporting presence and single-user chats with iChat interoperability, and multi-user chats and Tubes using the Clique protocol.
This package is a partial implementation of the systemd-hostnamed daemon. It provides the org.freedesktop.hostname1 D-Bus interface, which helps applications like GNOME Settings retrieve and modify the system’s hostname, as well as set a pretty hostname for display.
AppStream is a cross-distribution effort for enhancing the way we interact with the software repositories provided by distributions by standardizing software component metadata. It provides the foundation to build software-center applications, by providing metadata necessary for an application-centric view on package repositories. It additionally provides specifications for things like an unified software metadata database, screenshot services and various other things needed to create user-friendly application-centers for distributions.
This package provides Wayland protocols designed for use in wlroots (and other compositors).
The udiskie program is a udisks2 front-end that manages removable media such as CDs or flash drives from userspace.
Its features include:
automount removable media,
notifications,
tray icon,
command line tools for manual (un)mounting,
LUKS encrypted devices,
unlocking with keyfiles,
loop devices (mounting ISO archives),
password caching.
Some projects rely on the sd-bus library for DBus support. However not all systems have systemd or elogind installed. This library provides just sd-bus (and the busctl utility).
Libliftoff eases the use of KMS planes from userspace. Users create "virtual planes" called layers, set KMS properties on them, and libliftoff will pick hardware planes for these layers if possible.
Libqmi is a GLib-based library for talking to WWAN modems and devices which speak the Qualcomm MSM Interface (QMI) protocol.
Wev is a tool that opens a window, printing all events sent to a Wayland window, such as key presses. It is analogous to the X11 tool XEv.
Wtype lets you simulate keyboard input and mouse activity, move and resize windows, etc.
cChardet is a character encoding detector, written in Python, that binds to the C library uchardet to increase performance.
A set of symbols and convenience functions for Ayatana indicators.
xdg-desktop-portal is a portal front-end service for Flatpak and possibly other desktop containment frameworks. It works by exposing a series of D-Bus interfaces known as portals under a well-known name (org.freedesktop.portal.Desktop) and object path (/org/freedesktop/portal/desktop).
The portal interfaces include APIs for file access, opening URIs, printing and others.
The xdg-utils package is a set of simple scripts that provide basic desktop integration functions in the framework of the freedesktop.org project.
This library supports a subset of the ATA S.M.A.R.T. (Self-Monitoring, Analysis and Reporting Technology) functionality.
Libei provides a client and server implementation of the EI protocol for Wayland compositors.