# 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 ```sh sudo av install brew:libxc ``` Additional install commands: ### macOS - Homebrew (100%): ```sh brew install libxc ``` Evidence: local Homebrew formula metadata - MacPorts (94%): ```sh sudo port install libxc ``` Evidence: MacPorts ports tree: science/libxc/Portfile from https://api.github.com/repos/macports/macports-ports/git/trees/master?recursive=1 ### Linux - Debian apt (92%): ```sh sudo apt install libxc-dev ``` Evidence: Debian stable package indexes: libxc-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz - dnf (92%): ```sh sudo dnf install libxc ``` Evidence: Fedora Rawhide package metadata: libxc from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst - Nix (92%): ```sh nix profile install nixpkgs#libxc ``` Evidence: nixpkgs package indexes: pkgs/by-name/li/libxc/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1 - zypper (92%): ```sh sudo zypper install libxc-devel ``` Evidence: openSUSE Tumbleweed package metadata: libxc-devel from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst ## Package facts - **Package key:** brew:libxc - **Package manager:** Homebrew - **Package manager page:** - **Version:** 7.0.0 - **Source summary:** Library of exchange and correlation functionals for codes - **Homepage:** - **Repository:** - **Upstream docs:** - **License:** MPL-2.0 - **Source archive:** - **Generated:** 2026-07-08T07:18:31+00:00 ## Executables - xc-info (cli) - xc-info (alias) ## Dependencies - gcc ## Build dependencies - cmake ## Install behavior - Post-install hook: not defined - Bottle: available on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, arm64_ventura, sonoma, ventura, x86_64_linux ## Freshness - Page generated: 2026-07-08 - Package-manager version: 7.0.0 - Local data: ok - Upstream repository: https://libxc.gitlab.io/ - info: No package-manager update timestamp was available. - info: Release/tag comparison is only available for GitHub repositories. ## 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. ### Sources - - - - ## Security Notes library-like package without higher-risk signals. - **Geiger risk:** green / low - library-like package without higher-risk signals ## Source Database Details - **Source Database:** Homebrew formula API - **Tap:** homebrew/core - **Full Name:** libxc - **Version Scheme:** 0 - **Revision:** 0 - **Bottle Stable Root URL:** - **Deprecated:** no - **Disabled:** no - **Keg Only:** no - **URL Keys:** stable ## Other Package-Manager Records - Debian apt - libxc-dev - 5.2.3-3: normalized package name match | Debian stable package indexes: libxc-dev from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Library of Exchange-Correlation Functionals (development files) | http://www.tddft.org/programs/octopus/wiki/index.php/Libxc - Debian apt - libxc9 - 5.2.3-3: normalized package name match | Debian stable package indexes: libxc9 from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | Library of Exchange-Correlation Functionals | http://www.tddft.org/programs/octopus/wiki/index.php/Libxc - Nix - libxc: normalized package name match | nixpkgs package indexes: pkgs/by-name/li/libxc/package.nix from https://api.github.com/repos/NixOS/nixpkgs/git/trees/master?recursive=1 - Ubuntu apt - libxc-dev - 5.2.3-1ubuntu1: normalized package name match | Ubuntu 24.04 LTS package indexes: libxc-dev from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Library of Exchange-Correlation Functionals (development files) | http://www.tddft.org/programs/octopus/wiki/index.php/Libxc - Ubuntu apt - libxc9 - 5.2.3-1ubuntu1: normalized package name match | Ubuntu 24.04 LTS package indexes: libxc9 from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | Library of Exchange-Correlation Functionals | http://www.tddft.org/programs/octopus/wiki/index.php/Libxc - dnf - libxc - 7.0.0-11.fc45: normalized package name match | Fedora Rawhide package metadata: libxc from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/e5ca8ce900cd68f5419e1c39ae517343100b306336cbaeb70a3c153121d95094-primary.xml.zst | Library of exchange and correlation functionals for density-functional theory | http://www.tddft.org/programs/octopus/wiki/index.php/Libxc - dnf - libxc-devel - 7.0.0-11.fc45: normalized package name match | 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 | Development library and headers for libxc | http://www.tddft.org/programs/octopus/wiki/index.php/Libxc - dnf - python3-libxc - 7.0.0-11.fc45: normalized package name match | 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 | Python3 interface to libxc | http://www.tddft.org/programs/octopus/wiki/index.php/Libxc - zypper - libxc-devel - 6.2.2-1.8: normalized package name match | openSUSE Tumbleweed package metadata: libxc-devel from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst | Development files for libxc | https://www.tddft.org/programs/libxc/ - zypper - libxc12 - 6.2.2-1.8: normalized package name match | openSUSE Tumbleweed package metadata: libxc12 from https://download.opensuse.org/tumbleweed/repo/oss/repodata/be8d3611d25469107f32075a1697e69ec57a2b850b42348a658cc671ad5ec2b50760d02c3e59524d50da9a11d5be799bdaffba2e166e8ca8858512e3c0bd665d-primary.xml.zst | Library of exchange and correlation functionals to be used in DFT codes | https://www.tddft.org/programs/libxc/ - MacPorts - libxc: normalized package name match | MacPorts ports tree: science/libxc/Portfile from https://api.github.com/repos/macports/macports-ports/git/trees/master?recursive=1 ## Related links - [Terminal utility packages](https://www.automicvault.com/pkg/terminal-utilities/) - Matched terminal and command-line workflow metadata. - [Networking and protocol packages](https://www.automicvault.com/pkg/networking-protocol-tools/) - Matched network, protocol, or remote-service metadata. - [Scientific computing packages](https://www.automicvault.com/pkg/scientific-computing-tools/) - Matched scientific computing metadata. - [Homebrew utility packages](https://www.automicvault.com/pkg/brew-utility-packages/) - Matched Homebrew package provider. - [gcc](https://www.automicvault.com/pkg/brew/gcc/) - Runtime dependency declared by Homebrew. - [cmake](https://www.automicvault.com/pkg/brew/cmake/) - Build dependency declared by Homebrew. - [cp2k](https://www.automicvault.com/pkg/brew/cp2k/) - 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Shared terms: chemistry, cli, computational, computational-chemistry, science. ## Combined YAML source View the package source record on GitHub. [combined/libxc.yml](https://github.com/automic-vault/db/blob/main/combined/libxc.yml) ## Sources - Nucleus package database - Geiger risk classifier - package-page enrichment - curated package history - package version freshness - av.db category and tag curation - package relationship graph - external package-manager database matches - cross-ecosystem install command graph