sci-libs/libxc (gentoo)

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Package Information

Description:
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.
Homepage:
https://octopus-code.org/wiki/Libxc
License:
MPL-2.0

Versions

Version EAPI Keywords Slot
5.1.7 8 amd64 ~x86 0

Metadata

Description

Maintainers

Upstream

Raw Metadata XML
<pkgmetadata>
	<maintainer type="project">
		<email>sci@gentoo.org</email>
		<name>Gentoo Science Project</name>
	</maintainer>
	<maintainer type="person" proxied="yes">
		<email>Hloupy.Honza@centrum.cz</email>
		<name>Honza Macháček</name>
	</maintainer>
	<longdescription lang="en">
	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.
	</longdescription>
	<upstream>
		<doc>http://octopus-code.org/wiki/Libxc:manual</doc>
	</upstream>
</pkgmetadata>

Lint Warnings

USE Flags

Flag Description 5.1.7
fortran Add support for fortran
test Enable dependencies and/or preparations necessary to run tests (usually controlled by FEATURES=test but can be toggled independently)

Manifest

Type File Size Versions
DIST libxc-5.1.7.tar.gz 46172191 bytes 5.1.7
Unmatched Entries
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