Available in
| Overlay | Newest | Ebuilds | Last activity | |
|---|---|---|---|---|
| science gitweb ↗ | 20180930.3-r1 | 1 | 4 d | details › |
Versions & arches
Use flags of 20180930.3-r1
- mpi Add MPI (Message Passing Interface) layer to the apps that support it
- msucc Build Michigan State University CCT3 and CCSD3A methods. This will increase build time and memory requirements by ~10 times
- neo Enable NEO for nuclear basis support
- openmp Build support for the OpenMP (support parallel computing), requires >=sys-devel/gcc-4.2 built with USE="openmp"
- pax-kernel Make this package work on PAX kernels
- qmmm-tinker Enable tinker qmmm code
- vb2000 Enable Valence Bond method using VB2000 code