sci-libs / libxc

A library of exchange-correlation functionals for use in DFT

Official package sites : http://octopus-code.org/wiki/Libxc ·

Libxc is a library of exchange-correlation functionals for density-functional theory. The aim is to provide a portable, well tested and reliable set of exchange and correlation functionals that can be used by all the ETSF codes and also other codes. In Libxc you can find different types of functionals: LDA, GGA, hybrids, and mGGA (experimental). These functionals depend on local information, in the sense that the value of the potential at a given point depends only on the values of the density -- and the gradient of the density and the kinetic energy density, for the GGA and mGGA cases. It can calculate the functional itself and its derivative; for some functionals, higher-order derivatives are available. Libxc is written in C and has Fortran bindings. It is released under the LGPL license (v. 3.0). Contributions are welcome.

v3.0.0 :: 0 :: gentoo

Modified
License
LGPL-3
Keywords
~amd64 ~amd64-linux ~x86
USE flags
fortran static-libs test

v2.2.3 :: 0 :: gentoo

Modified
License
LGPL-3
Keywords
amd64 ~amd64-linux ~x86
USE flags
fortran static-libs test

v2.1.3 :: 0 :: gentoo

Modified
License
LGPL-3
Keywords
~amd64 ~amd64-linux ~x86
USE flags
fortran static-libs test

General

fortran
Add support for fortran
static-libs
Build static versions of dynamic libraries as well
test
Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)

app-portage / elt-patches : Collection of patches for libtool.eclass

sys-devel / autoconf : Used to create autoconfiguration files

sys-devel / automake : Used to generate Makefile.in from Makefile.am

sys-devel / libtool : A shared library tool for developers

virtual / fortran : Virtual for Fortran Compiler

virtual / fortran : Virtual for Fortran Compiler

sci-chemistry / votca-xtp : Votca excitation and charge properties module

Repository mirror & CI · gentoo
Merge updates from master
Mikle Kolyada · gentoo
sci-libs/libxc: amd64 stable wrt bug #685046
Signed-off-by: Mikle Kolyada <zlogene@gentoo.org> Package-Manager: Portage-2.3.62, Repoman-2.3.11 RepoMan-Options: --include-arches="amd64"
Repository mirror & CI · gentoo
Merge updates from master
Christoph Junghans · gentoo
sci-libs/libxc: initial import for sci overlay
Package-Manager: Portage-2.3.49, Repoman-2.3.10 Signed-off-by: Christoph Junghans <junghans@gentoo.org>