Automic VaultAutomic Vault

brew / 排名 4694

安装 nwchem

查看 nwchem 的安装路径、可执行文件、元数据以及面向 AI 代理工作流的安全说明。

安装命令安全说明

安装

使用 Automic Vault 安装

Automic Vault
下载 AV
sudo av install brew:nwchem

macOS

Homebrewverified · 100%
brew install nwchem

local Homebrew formula metadata

平台说明

  • 没有特定于此软件包的平台说明。

概览

软件包摘要

High-performance computational chemistry tools

命令和别名

  • nwchem

安全态势

风险级别：green

narrow executable package without higher-risk signals.

Risk classifier

green risk · low confidence · appliance

Why

  • narrow executable package without higher-risk signals

Signals

  • metadata:no-higher-risk-signals

Install behavior

  • No Homebrew post-install hook is recorded in formula metadata.
  • Homebrew bottle metadata is available for 6 platform targets.
  • Installs with 9 runtime dependencies.

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
nwchemcliglobal executable

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2026-06-10
管理器版本7.3.1
管理器更新时间
本地数据ok
上游not checked
检测到的最新版本not detected

https://github.com/nwchemgit/nwchem

安装元数据

软件包元数据

Package keybrew:nwchem
Version7.3.1
Package managerHomebrew
Package manager pagehttps://formulae.brew.sh/formula/nwchem
Homepagehttps://nwchemgit.github.io
Repositoryhttps://github.com/nwchemgit/nwchem
Upstream docshttps://nwchemgit.github.io/
LicenseECL-2.0
Source archivehttps://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-src.2025-11-06.tar.xz
Dependenciesgcc, hwloc, libomp, libxc, open-mpi, openblas, pkgconf, python@3.14, scalapack
Uses from macOSlibxcrypt
Bottleavailable (arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux)
Homebrew post-installnot defined
Servicenone declared

registry facts

Source database details

Source DatabaseHomebrew formula API
Taphomebrew/core
Full Namenwchem
Version Scheme0
Revision1
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%

nwchem 7.2.3-10

High-performance computational chemistry software (default MPI)

https://nwchemgit.github.io

sudo apt install nwchem
  • Section: science
  • Architecture: all
  • 3 dependencies
  • normalized package name match
  • Matched by: Nwchem
Debian stable package indexes · deb.debian.org · Debian stable package indexes: nwchem from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Debian apt95%

nwchem-data 7.2.3-10

High-performance computational chemistry software (data files)

https://nwchemgit.github.io

sudo apt install nwchem-data
  • Section: science
  • Architecture: all
  • Source Package: nwchem
  • normalized package name match
  • Matched by: Nwchem
Debian stable package indexes · deb.debian.org · Debian stable package indexes: nwchem-data from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Debian apt95%

nwchem-mpich 7.2.3-10

High-performance computational chemistry software (MPICH build)

https://nwchemgit.github.io

sudo apt install nwchem-mpich
  • Section: science
  • Architecture: amd64
  • Source Package: nwchem
  • 12 dependencies
  • normalized package name match
  • Matched by: Nwchem
Debian stable package indexes · deb.debian.org · Debian stable package indexes: nwchem-mpich from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Debian apt95%

nwchem-openmpi 7.2.3-10

High-performance computational chemistry software (OpenMPI build)

https://nwchemgit.github.io

sudo apt install nwchem-openmpi
  • Section: science
  • Architecture: amd64
  • Source Package: nwchem
  • 12 dependencies
  • normalized package name match
  • Matched by: Nwchem
Debian stable package indexes · deb.debian.org · Debian stable package indexes: nwchem-openmpi from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz
Nix95%

nwchem

nix profile install nixpkgs#nwchem
  • normalized package name match
  • Matched by: Nwchem
nixpkgs package indexes · raw.githubusercontent.com · nixpkgs package indexes: nwchem from https://raw.githubusercontent.com/NixOS/nixpkgs/master/pkgs/top-level/all-packages.nix
Ubuntu apt95%

nwchem 7.2.2-1build3

High-performance computational chemistry software (default MPI)

https://nwchemgit.github.io

sudo apt install nwchem
  • Section: universe/science
  • Architecture: all
  • 3 dependencies
  • normalized package name match
  • Matched by: Nwchem
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: nwchem from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
Ubuntu apt95%

nwchem-data 7.2.2-1build3

High-performance computational chemistry software (data files)

https://nwchemgit.github.io

sudo apt install nwchem-data
  • Section: universe/science
  • Architecture: all
  • Source Package: nwchem
  • normalized package name match
  • Matched by: Nwchem
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: nwchem-data from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
Ubuntu apt95%

nwchem-mpich 7.2.2-1build3

High-performance computational chemistry software (MPICH build)

https://nwchemgit.github.io

sudo apt install nwchem-mpich
  • Section: universe/science
  • Architecture: amd64
  • Source Package: nwchem
  • 12 dependencies
  • normalized package name match
  • Matched by: Nwchem
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: nwchem-mpich from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
Ubuntu apt95%

nwchem-openmpi 7.2.2-1build3

High-performance computational chemistry software (OpenMPI build)

https://nwchemgit.github.io

sudo apt install nwchem-openmpi
  • Section: universe/science
  • Architecture: amd64
  • Source Package: nwchem
  • 12 dependencies
  • normalized package name match
  • Matched by: Nwchem
Ubuntu 24.04 LTS package indexes · archive.ubuntu.com · Ubuntu 24.04 LTS package indexes: nwchem-openmpi from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz
dnf95%

nwchem 7.3.1-1.fc44

Delivering High-Performance Computational Chemistry to Science

https://nwchemgit.github.io/

sudo dnf install nwchem
  • License: ECL-2.0
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: nwchem
  • 3 dependencies
  • 1 provides
  • normalized package name match
  • Matched by: Nwchem
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: nwchem from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

nwchem-common 7.3.1-1.fc44

nwchem - common files

https://nwchemgit.github.io/

sudo dnf install nwchem-common
  • License: ECL-2.0
  • Category: Unspecified
  • Architecture: noarch
  • Source Package: nwchem
  • 2 provides
  • normalized package name match
  • Matched by: Nwchem
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: nwchem-common from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

nwchem-mpich 7.3.1-1.fc44

nwchem - mpich version

https://nwchemgit.github.io/

sudo dnf install nwchem-mpich
  • License: ECL-2.0
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: nwchem
  • 19 dependencies
  • 1 provides
  • normalized package name match
  • Matched by: Nwchem
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: nwchem-mpich from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst
dnf95%

nwchem-openmpi 7.3.1-1.fc44

nwchem - openmpi version

https://nwchemgit.github.io/

sudo dnf install nwchem-openmpi
  • License: ECL-2.0
  • Category: Unspecified
  • Architecture: x86_64
  • Source Package: nwchem
  • 21 dependencies
  • 1 provides
  • normalized package name match
  • Matched by: Nwchem
Fedora Rawhide package metadata · dl.fedoraproject.org · Fedora Rawhide package metadata: nwchem-openmpi from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst

软件包图谱

链接来自本地软件包关系图、补充数据、依赖边、生态匹配和软件包 hub 归属。

相关工具

  • python@3.14Runtime dependency declared by Homebrew.
  • pkgconfRuntime dependency declared by Homebrew.
  • gccRuntime dependency declared by Homebrew.
  • hwlocRuntime dependency declared by Homebrew.
  • open-mpiRuntime dependency declared by Homebrew.
  • libxcRuntime dependency declared by Homebrew.

相同工作流

  • cp2kShares av.db curated category or tags: cli, computational-chemistry, hpc, molecular-simulation, quantum-chemistry.
  • votcaShares av.db curated category or tags: cli, computational-chemistry, molecular-simulation, science.
  • gromacsShares av.db curated category or tags: cli, computational-chemistry, hpc, molecular-simulation, science.
  • kim-apiShares av.db curated category or tags: cli, fortran, molecular-simulation, science.
  • opencoarraysShares av.db curated category or tags: cli, fortran, hpc, science.
  • pmixShares av.db curated category or tags: cli, hpc, science.

来源线索

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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。

使用的来源

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