quantum-espresso
Suite for first-principles electronic-structure calculations and materials modeling
Available in
| Overlay | Newest | Ebuilds | Last activity | |
|---|---|---|---|---|
| phackerlay GitLab ↗ | 7.6 | 1 | 3 d | details › |
Versions & arches
Use flags of 7.6
- +system-blas
- +system-fftw
- +system-lapack
- +libxc
- hdf5 Add support for the Hierarchical Data Format v5
- openmp Build support for the OpenMP (support parallel computing), requires >=sys-devel/gcc-4.2 built with USE="openmp"
- mpi Add MPI (Message Passing Interface) layer to the apps that support it
- elpa
- scalapack