# Install nwchem

High-performance computational chemistry tools. Version 7.3.1 via Homebrew; verified from local package data.

## Install

```sh
sudo av install brew:nwchem
```

Additional install commands:

### macOS

- Homebrew (100%):

```sh
brew install nwchem
```

  Evidence: local Homebrew formula metadata

### Linux

- Debian apt (92%):

```sh
sudo apt install nwchem
```

  Evidence: Debian stable package indexes: nwchem from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz

- dnf (92%):

```sh
sudo dnf install nwchem
```

  Evidence: Fedora Rawhide package metadata: nwchem from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst

- Nix (92%):

```sh
nix profile install nixpkgs#nwchem
```

  Evidence: nixpkgs package indexes: nwchem from https://raw.githubusercontent.com/NixOS/nixpkgs/master/pkgs/top-level/all-packages.nix

## Package Facts

- **Package key:** brew:nwchem
- **Package manager:** Homebrew
- **Package manager URL:** <https://formulae.brew.sh/formula/nwchem>
- **Version:** 7.3.1
- **Source summary:** High-performance computational chemistry tools
- **Homepage:** <https://nwchemgit.github.io>
- **Repository:** <https://github.com/nwchemgit/nwchem>
- **Upstream docs:** <https://nwchemgit.github.io/>
- **License:** ECL-2.0
- **Source archive:** <https://github.com/nwchemgit/nwchem/releases/download/v7.3.1-release/nwchem-7.3.1-release.revision-23c3b41b-src.2025-11-06.tar.xz>
- **Generated:** 2026-06-10T07:18:26+00:00

## Executables

- nwchem (cli)
- nwchem (alias)

## Dependencies

- gcc
- hwloc
- libomp
- libxc
- open-mpi
- openblas
- pkgconf
- python@3.14
- scalapack

## macOS Provided Libraries

- libxcrypt

## Install Behavior

- Post-install hook: not defined
- Bottle: available on arm64_linux, arm64_sequoia, arm64_sonoma, arm64_tahoe, sonoma, x86_64_linux

## Freshness

- Page generated: 2026-06-10
- Package-manager version: 7.3.1
- Local data status: ok
- Upstream repository: https://github.com/nwchemgit/nwchem
- info: No package-manager update timestamp was available.
- info: No cached GitHub release or tag data was available.

## セキュリティノート

narrow executable package without higher-risk signals.

- **Geiger risk:** green / low
- narrow executable package without higher-risk signals

## Source Database Details

- **Source Database:** Homebrew formula API
- **Tap:** homebrew/core
- **Full Name:** nwchem
- **Version Scheme:** 0
- **Revision:** 1
- **Bottle Stable Root URL:** <https://ghcr.io/v2/homebrew/core>
- **Deprecated:** no
- **Disabled:** no
- **Keg Only:** no
- **URL Keys:** stable

## Other Package-Manager Records

- Debian apt - nwchem - 7.2.3-10: normalized package name match | Debian stable package indexes: nwchem from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | High-performance computational chemistry software (default MPI) | https://nwchemgit.github.io
- Debian apt - nwchem-data - 7.2.3-10: normalized package name match | Debian stable package indexes: nwchem-data from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | High-performance computational chemistry software (data files) | https://nwchemgit.github.io
- Debian apt - nwchem-mpich - 7.2.3-10: normalized package name match | Debian stable package indexes: nwchem-mpich from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | High-performance computational chemistry software (MPICH build) | https://nwchemgit.github.io
- Debian apt - nwchem-openmpi - 7.2.3-10: normalized package name match | Debian stable package indexes: nwchem-openmpi from https://deb.debian.org/debian/dists/stable/main/binary-amd64/Packages.xz | High-performance computational chemistry software (OpenMPI build) | https://nwchemgit.github.io
- Nix - nwchem: normalized package name match | nixpkgs package indexes: nwchem from https://raw.githubusercontent.com/NixOS/nixpkgs/master/pkgs/top-level/all-packages.nix
- Ubuntu apt - nwchem - 7.2.2-1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: nwchem from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | High-performance computational chemistry software (default MPI) | https://nwchemgit.github.io
- Ubuntu apt - nwchem-data - 7.2.2-1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: nwchem-data from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | High-performance computational chemistry software (data files) | https://nwchemgit.github.io
- Ubuntu apt - nwchem-mpich - 7.2.2-1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: nwchem-mpich from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | High-performance computational chemistry software (MPICH build) | https://nwchemgit.github.io
- Ubuntu apt - nwchem-openmpi - 7.2.2-1build3: normalized package name match | Ubuntu 24.04 LTS package indexes: nwchem-openmpi from https://archive.ubuntu.com/ubuntu/dists/noble/universe/binary-amd64/Packages.gz | High-performance computational chemistry software (OpenMPI build) | https://nwchemgit.github.io
- dnf - nwchem - 7.3.1-1.fc44: normalized package name match | Fedora Rawhide package metadata: nwchem from https://dl.fedoraproject.org/pub/fedora/linux/development/rawhide/Everything/x86_64/os/repodata/13ee7b80cb813542594d4235c4a0b8695435d5ecf23dd3580bc7515ae1b6180d-primary.xml.zst | Delivering High-Performance Computational Chemistry to Science | https://nwchemgit.github.io/
- dnf - nwchem-common - 7.3.1-1.fc44: normalized package name match | 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 | nwchem - common files | https://nwchemgit.github.io/
- dnf - nwchem-mpich - 7.3.1-1.fc44: normalized package name match | 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 | nwchem - mpich version | https://nwchemgit.github.io/
- dnf - nwchem-openmpi - 7.3.1-1.fc44: normalized package name match | 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 | nwchem - openmpi version | https://nwchemgit.github.io/


## Related Links

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- [python@3.14](https://www.automicvault.com/ja/pkg/brew/python-3-14/) - Runtime dependency declared by Homebrew.
- [pkgconf](https://www.automicvault.com/ja/pkg/brew/pkgconf/) - Runtime dependency declared by Homebrew.
- [gcc](https://www.automicvault.com/ja/pkg/brew/gcc/) - Runtime dependency declared by Homebrew.
- [hwloc](https://www.automicvault.com/ja/pkg/brew/hwloc/) - Runtime dependency declared by Homebrew.
- [open-mpi](https://www.automicvault.com/ja/pkg/brew/open-mpi/) - Runtime dependency declared by Homebrew.
- [libxc](https://www.automicvault.com/ja/pkg/brew/libxc/) - Runtime dependency declared by Homebrew.
- [cp2k](https://www.automicvault.com/ja/pkg/brew/cp2k/) - Shares av.db curated category or tags: cli, computational-chemistry, hpc, molecular-simulation, quantum-chemistry.
- [votca](https://www.automicvault.com/ja/pkg/brew/votca/) - Shares av.db curated category or tags: cli, computational-chemistry, molecular-simulation, science.
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- [kim-api](https://www.automicvault.com/ja/pkg/brew/kim-api/) - Shares av.db curated category or tags: cli, fortran, molecular-simulation, science.
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- [pmix](https://www.automicvault.com/ja/pkg/brew/pmix/) - Shares av.db curated category or tags: cli, hpc, science.
- [cfitsio](https://www.automicvault.com/ja/pkg/brew/cfitsio/) - Shares av.db curated category or tags: cli, fortran, science.
- [shamrock](https://www.automicvault.com/ja/pkg/brew/shamrock/) - Both packages touch the same language runtime or ecosystem. Shared terms: cli, hpc, libomp, mpi, open.

## Sources

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