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nixpkgs/pkgs/applications/science/molecular-dynamics/gromacs
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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  GMX_CPU_ACCELERATION is outdated and has been ignored.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
..
default.nix gromacs: fix SIMD flags, and OpenMP 2020-11-27 13:59:01 +01:00