nixpkgs-suyu/pkgs/applications/science/molecular-dynamics
Markus Kowalewski 58e1666a58
gromacs: fix SIMD flags, and OpenMP
* make CPU acceleration selectable.
* update cmake flag for acceleration CPU_ACCELERATION -> SIMD
  GMX_CPU_ACCELERATION is outdated and has been ignored.
* add hwloc to inputs
* always build with OpenMP
* change name -> pname
2020-11-27 13:59:01 +01:00
..
dl-poly-classic
gromacs gromacs: fix SIMD flags, and OpenMP 2020-11-27 13:59:01 +01:00
lammps treewide: use blas and lapack 2020-04-17 16:24:09 -05:00