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nixpkgs/pkgs/applications/science/molecular-dynamics
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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  GMX_CPU_ACCELERATION is outdated and has been ignored.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
..
dl-poly-classic treewide: Per RFC45, remove all unquoted URLs 2020-04-10 17:54:53 +01:00
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