High-performance computational chemistry tools
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 |
27 |
Installs on Request (30 days) | |
nwchem |
27 |
Build Errors (30 days) | |
nwchem |
0 |
Installs (90 days) | |
nwchem |
172 |
nwchem --HEAD |
1 |
Installs on Request (90 days) | |
nwchem |
172 |
nwchem --HEAD |
1 |
Installs (365 days) | |
nwchem |
862 |
nwchem --HEAD |
1 |
Installs on Request (365 days) | |
nwchem |
862 |
nwchem --HEAD |
1 |