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 sonoma
ventura
monterey
Intel sonoma
ventura
monterey
64-bit linux

Current versions:

stable 7.2.2

Depends on:

gcc 13.2.0 GNU compiler collection
libxc 6.2.2 Library of exchange and correlation functionals for codes
open-mpi 5.0.2 High performance message passing library
openblas 0.3.26 Optimized BLAS library
pkg-config 0.29.2 Manage compile and link flags for libraries
python@3.12 3.12.2 Interpreted, interactive, object-oriented programming language
scalapack 2.2.0 High-performance linear algebra for distributed memory machines

Analytics:

Installs (30 days)
nwchem 101
nwchem --HEAD 1
Installs on Request (30 days)
nwchem 101
nwchem --HEAD 1
Build Errors (30 days)
nwchem 1
Installs (90 days)
nwchem 249
nwchem --HEAD 1
Installs on Request (90 days)
nwchem 249
nwchem --HEAD 1
Installs (365 days)
nwchem 837
nwchem --HEAD 1
Installs on Request (365 days)
nwchem 837
nwchem --HEAD 1
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