nwchem

Install command:
brew install nwchem

High-performance computational chemistry tools

https://nwchemgit.github.io

License: ECL-2.0

Formula JSON API: /api/formula/nwchem.json

Formula code: nwchem.rb on GitHub

Bottle (binary package) installation support provided for:

Apple Silicon sequoia
sonoma
ventura
monterey
Intel sonoma
ventura
monterey
64-bit linux

Current versions:

stable 7.2.3

Depends on:

gcc 14.2.0 GNU compiler collection
hwloc 2.11.2 Portable abstraction of the hierarchical topology of modern architectures
libxc 6.2.2 Library of exchange and correlation functionals for codes
open-mpi 5.0.5 High performance message passing library
openblas 0.3.28 Optimized BLAS library
pkg-config 0.29.2 Manage compile and link flags for libraries
python@3.12 3.12.7 Interpreted, interactive, object-oriented programming language
scalapack 2.2.0 High-performance linear algebra for distributed memory machines

Analytics:

Installs (30 days)
nwchem 115
Installs on Request (30 days)
nwchem 115
Build Errors (30 days)
nwchem 0
Installs (90 days)
nwchem 239
Installs on Request (90 days)
nwchem 239
Installs (365 days)
nwchem 916
nwchem --HEAD 1
Installs on Request (365 days)
nwchem 916
nwchem --HEAD 1
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