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Install libxc with Homebrew, apt, dnf, MacPorts, Nix, zypper

Library of exchange and correlation functionals for codes. Version 7.0.0 via Homebrew; verified from local package data.

Install commandSecurity notes

install

Additional install commands

macOS

Homebrewverified · 100%
brew install libxc

local Homebrew formula metadata

MacPortsverified · 94%
sudo port install libxc

MacPorts ports tree · science/libxc/Portfile · source: api.github.com

Linux

Debian aptverified · 92%
sudo apt install libxc-dev

Debian stable package indexes · libxc-dev · source: deb.debian.org

Fedora dnfverified · 92%
sudo dnf install libxc

Fedora Rawhide package metadata · libxc · source: dl.fedoraproject.org

Nixverified · 92%
nix profile install nixpkgs#libxc

nixpkgs package indexes · pkgs/by-name/li/libxc/package.nix · source: api.github.com

openSUSE zypperverified · 92%
sudo zypper install libxc-devel

openSUSE Tumbleweed package metadata · libxc-devel · source: download.opensuse.org

overview

Package summary

Library of exchange and correlation functionals for codes

Commands and aliases

  • xc-info

history

Project history and usage

Libxc is a scientific C library of exchange-correlation and kinetic-energy functionals for density-functional theory, with Fortran and Python bindings for integration into electronic-structure codes.

Project history

Libxc began with the aim of providing a portable, well tested, reliable set of functionals for codes of the European Theoretical Spectroscopy Facility. The 2012 Computer Physics Communications paper presented a library containing routines for around 180 functionals and their derivatives, addressing a reproducibility problem caused by many slightly different implementations across electronic-structure programs.

The project later grew beyond its ETSF origin into a shared dependency for many quantum-chemistry and solid-state codes. Its own site records an important implementation shift in version 4 in 2017, when Libxc moved from hand-written C implementations to automatic code generation with Maple.

Adoption history

Libxc adoption is visible through the citation expectations on the project site and through its list of interfacing programs. Codes use it so they can expose a broad, named set of density-functional approximations without reimplementing each functional locally.

The 2018 SoftwareX paper became the preferred citation for later versions, reflecting the library's growth from a compact common functional set into a comprehensive, maintained reference implementation for DFT software.

How it is used

Developers link Libxc into simulation codes and call its APIs to evaluate LDA, GGA, meta-GGA, hybrid, and related functionals. Packagers care about ABI, bindings, and the xc-info tool because downstream scientific packages often need a consistent functional catalog across C, Fortran, and Python interfaces.

Why package nerds care

Libxc is one of those quiet HPC packages that standardizes scientific meaning, not just linkage. In a dependency graph it signals that an electronic-structure code can delegate a notoriously broad and error-prone part of DFT to a common implementation.

Timeline

  • 2012-03-08: The original Libxc paper was submitted to arXiv.
  • 2012: The early Libxc reference appeared in Computer Physics Communications.
  • 2017: Libxc version 4 switched to automatic Maple-based code generation.
  • 2018: The SoftwareX paper 'Recent developments in Libxc' became the preferred citation for maintained versions.

Related projects

  • Related projects include ETSF codes, DFT-FE, DFTK.jl, Elk, and other density-functional-theory and electronic-structure packages that interface with Libxc.

security posture

Risk level: green

library-like package without higher-risk signals.

Risk classifier

green risk · low confidence · appliance

Why

  • library-like package without higher-risk signals

Signals

  • metadata:library-like

Install behavior

  • No Homebrew post-install hook is recorded in formula metadata.
  • Homebrew bottle metadata is available for 8 platform targets.
  • Installs with 1 runtime dependencies.
  • Build metadata lists 1 build dependencies.

Recommended review

Before unattended agent use, check whether the tool reads plaintext credentials, writes remote state, publishes artifacts, or shells out to plugins.

executables

Installed executables

CommandKindExposureNote
xc-infocliglobal executable

freshness

Version and freshness

These signals separate page generation age, package-manager activity, and upstream release comparison. Version lag is warned only when an evidence URL and comparable versions are present.

page generated2026-07-08
manager version7.0.0
manager updated
local dataok
upstreamnot checked
latest detectednot detected

https://libxc.gitlab.io/

  • infoNo package-manager update timestamp was available.low confidence
  • infoRelease/tag comparison is only available for GitHub repositories.https://libxc.gitlab.io/none confidence

install metadata

Package metadata

Package keybrew:libxc
Version7.0.0
Package managerHomebrew
Package manager pagehttps://formulae.brew.sh/formula/libxc
Homepagehttps://libxc.gitlab.io/
Repositoryhttps://gitlab.com/libxc/libxc
Upstream docshttps://libxc.gitlab.io/manual
LicenseMPL-2.0
Source archivehttps://gitlab.com/libxc/libxc/-/archive/7.0.0/libxc-7.0.0.tar.bz2
Dependenciesgcc
Build dependenciescmake
Bottleavailable (on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, arm64_ventura, sonoma, ventura, x86_64_linux)
Homebrew post-installnot defined
Servicenone declared

registry facts

Source database details

Source DatabaseHomebrew formula API
Taphomebrew/core
Full Namelibxc
Version Scheme0
Revision0
Bottle Stable Root URLhttps://ghcr.io/v2/homebrew/core
Deprecatedno
Disabledno
Keg Onlyno
URL Keys
  • stable

source database matches

Other package-manager records

Matches are pulled from external package-manager indexes and kept separate from local Automic Vault package links.

Debian apt95%

libxc-dev 5.2.3-3

Library of Exchange-Correlation Functionals (development files)

http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

sudo apt install libxc-dev
  • Section: libdevel
  • Architecture: amd64
  • Source Package: libxc
  • 2 dependencies
  • normalized package name match
  • Matched by: Libxc
Debian stable package indexes · deb.debian.org · Debian stable package indexes: libxc-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Debian apt95%

libxc9 5.2.3-3

Library of Exchange-Correlation Functionals

http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

sudo apt install libxc9
  • Section: libs
  • Architecture: amd64
  • Source Package: libxc
  • 3 dependencies
  • normalized package name match
  • Matched by: Libxc
Debian stable package indexes · deb.debian.org · Debian stable package indexes: libxc9 from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Nix95%

libxc

nix profile install nixpkgs#libxc
  • normalized package name match
  • Matched by: Libxc
nixpkgs package indexes · api.github.com · nixpkgs package indexes: pkgs/by-name/li/libxc/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1
Ubuntu apt95%

libxc-dev 5.2.3-1ubuntu1

Library of Exchange-Correlation Functionals (development files)

http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

sudo apt install libxc-dev
  • Section: universe/libdevel
  • Architecture: amd64
  • Source Package: libxc
  • 2 dependencies
  • normalized package name match
  • Matched by: Libxc
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: libxc-dev from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
Ubuntu apt95%

libxc9 5.2.3-1ubuntu1

Library of Exchange-Correlation Functionals

http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

sudo apt install libxc9
  • Section: universe/libs
  • Architecture: amd64
  • Source Package: libxc
  • 2 dependencies
  • normalized package name match
  • Matched by: Libxc
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: libxc9 from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
dnf95%

libxc 7.0.0-11.fc45

Library of exchange and correlation functionals for density-functional theory

http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

sudo dnf install libxc
  • License: MPL-2.0
  • Category: Unspecified
  • Architecture: i686
  • Source Package: libxc
  • 6 dependencies
  • 3 provides
  • normalized package name match
  • Matched by: Libxc
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: libxc from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst
dnf95%

libxc-devel 7.0.0-11.fc45

Development library and headers for libxc

http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

sudo dnf install libxc-devel
  • License: MPL-2.0
  • Category: Unspecified
  • Architecture: i686
  • Source Package: libxc
  • 7 dependencies
  • 3 provides
  • normalized package name match
  • Matched by: Libxc
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: libxc-devel from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst
dnf95%

python3-libxc 7.0.0-11.fc45

Python3 interface to libxc

http://www.tddft.org/programs/octopus/wiki/index.php/Libxc

sudo dnf install python3-libxc
  • License: MPL-2.0
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: libxc
  • 3 dependencies
  • 3 provides
  • normalized package name match
  • Matched by: Libxc
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: python3-libxc from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst
zypper95%

libxc-devel 6.2.2-1.8

Development files for libxc

https://www.tddft.org/programs/libxc/

sudo zypper install libxc-devel
  • License: MPL-2.0
  • Category: Development/Libraries/Other
  • Architecture: x86_64
  • Source Package: libxc
  • 4 dependencies
  • 2 provides
  • normalized package name match
  • Matched by: Libxc
openSUSE Tumbleweed package metadata · download.opensuse.org · openSUSE Tumbleweed package metadata: libxc-devel from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst
zypper95%

libxc12 6.2.2-1.8

Library of exchange and correlation functionals to be used in DFT codes

https://www.tddft.org/programs/libxc/

sudo zypper install libxc12
  • License: MPL-2.0
  • Category: System/Libraries
  • Architecture: x86_64
  • Source Package: libxc
  • 5 dependencies
  • 4 provides
  • normalized package name match
  • Matched by: Libxc
openSUSE Tumbleweed package metadata · download.opensuse.org · openSUSE Tumbleweed package metadata: libxc12 from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst
MacPorts95%

libxc

sudo port install libxc
  • normalized package name match
  • Matched by: Libxc
MacPorts ports tree · api.github.com · MacPorts ports tree: science/libxc/Portfile from https://api.github.com/repos/macports/macports-ports/git/trees/master?recursive=1

package graph

Links come from deterministic package relationships, av.db category and tag curation, ecosystem matches, and package hub membership.

Related tools

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  • cmakeBuild dependency declared by Homebrew.
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  • votcaPopular package that depends on this formula.

Same workflow

  • itkShares av.db curated category or tags: cli, library, science, scientific-computing.
  • udunitsShares av.db curated category or tags: cli, library, science, scientific-computing.
  • btllibShares av.db curated category or tags: cli, library, science.
  • calcephShares av.db curated category or tags: cli, science, scientific-computing.
  • clhepShares av.db curated category or tags: cli, library, science.
  • gromacsLocal package facts share a topical domain. Shared terms: chemistry, cli, computational, computational-chemistry, science.

source trail

Generated from repository data

This page is generated by av-web from the private package SQLite artifact built by scripts/generate-pkg-sqlite.py.

Used sources

  • Geiger risk classifier
  • Nucleus package database
  • av.db category and tag curation
  • cross-ecosystem install command graph
  • curated package history
  • external package-manager database matches
  • package relationship graph
  • package version freshness
  • package-page enrichment