macOS
Homebrew已验证 · 100%
brew install libxclocal Homebrew formula metadata
MacPorts已验证 · 94%
sudo port install libxcMacPorts ports tree · science/libxc/Portfile · 来源: api.github.com
安装
其他安装命令
Linux
Fedora dnf已验证 · 92%
sudo dnf install libxcFedora Rawhide package metadata · libxc · 来源: dl.fedoraproject.org
Nix已验证 · 92%
nix profile install nixpkgs#libxcnixpkgs package indexes · pkgs/by-name/li/libxc/package.nix · 来源: api.github.com
Debian apt已验证 · 92%
sudo apt install libxc-devDebian stable package indexes · libxc-dev · 来源: deb.debian.org
openSUSE zypper已验证 · 92%
sudo zypper install libxc-developenSUSE Tumbleweed package metadata · libxc-devel · 来源: download.opensuse.org
概览
软件包摘要
Library of exchange and correlation functionals for codes
项目链接
命令和别名
- xc-info
历史
项目历史与用法
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.
项目历史
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.
采用历史
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.
使用方式
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.
为什么软件包爱好者会关心
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.
时间线
- 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.
来源
安全态势
风险级别：绿色
library-like package without higher-risk signals.
风险分类器
绿色 风险 · 低 置信度 · appliance
原因
- library-like package without higher-risk signals
信号
- metadata:library-like
安装行为
- 未记录 Homebrew bottle 元数据。
建议审查
在无人值守的代理使用前，请检查该工具是否读取明文凭据、写入远程状态、发布制品或调用插件。
可执行文件
已安装的可执行文件
| 命令 | 类型 | 暴露范围 | 备注 |
|---|---|---|---|
xc-info | 可执行文件 | 已索引可执行文件 | 从本地可执行文件索引发现。 |
新鲜度
版本和新鲜度
这些信号区分页生成时间、软件包管理器活动和上游发布比较。只有存在证据 URL 和可比较版本时，才会提示版本落后。
页面生成时间2026-08-03
管理器版本7.1.2
管理器更新时间
本地数据未知
上游不可用
检测到的最新版本未检测到
- OK没有生成新鲜度警告。
安装元数据
软件包元数据
| 软件包键 | brew:libxc |
|---|---|
| 版本 | 7.1.2 |
| 软件包管理器 | Homebrew |
| 主页 | https://libxc.gitlab.io/ |
| Bottle | 未记录 |
| 服务 | 未声明 |
源数据库匹配
其他软件包管理器记录
匹配项来自外部软件包管理器索引，并与本地 Automic Vault 软件包链接分开显示。
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 依赖
- normalized package name match
- 匹配方式：Libxc
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 依赖
- normalized package name match
- 匹配方式：Libxc
Nix95%
libxc
nix profile install nixpkgs#libxc- normalized package name match
- 匹配方式：Libxc
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 依赖
- normalized package name match
- 匹配方式：Libxc
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 依赖
- normalized package name match
- 匹配方式：Libxc
dnf95%
libxc 7.1.2-3.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 依赖
- 3 提供
- normalized package name match
- 匹配方式：Libxc
dnf95%
libxc-devel 7.1.2-3.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 依赖
- 3 提供
- normalized package name match
- 匹配方式：Libxc
dnf95%
python3-libxc 7.1.2-3.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 依赖
- 3 提供
- normalized package name match
- 匹配方式：Libxc
zypper95%
libxc-devel 6.2.2-1.10
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 依赖
- 2 提供
- normalized package name match
- 匹配方式：Libxc
zypper95%
libxc12 6.2.2-1.10
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 依赖
- 4 提供
- normalized package name match
- 匹配方式：Libxc
MacPorts95%
libxc
sudo port install libxc- normalized package name match
- 匹配方式：Libxc
来源线索
由仓库数据生成
此页面由 av-web 从 scripts/generate-pkg-sqlite.py 生成的私有软件包 SQLite 工件提供。
Combined YAML source
View the package source record on GitHub.
使用的来源
- Geiger risk classifier
- cross-ecosystem install command graph
- curated package history
- external package-manager database matches
- pkg.so package database
- pkgdb category and tag curation