commit d6426fb7ea83fd538dee3aed4b74eb6fc7fd2d60 · pyrox.dev/nixpkgs

+48
pkgs/by-name/gr/greenx/package.nix
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       {

     

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         stdenv,

     

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         lib,

     

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         fetchFromGitHub,

     

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         gfortran,

     

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         cmake,

     

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         pkg-config,

     

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         blas,

     

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         lapack,

     

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       }:

     

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       stdenv.mkDerivation rec {

     

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         pname = "greenx";

     

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         version = "2.2";

     

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         src = fetchFromGitHub {

     

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           owner = "nomad-coe";

     

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           repo = "greenx";

     

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           rev = "v${version}";

     

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           hash = "sha256-otIs2Y79KoEL4ut8YQe7Y27LpmpId8h/X8B6GIg8l+E=";

     

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         };

     

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         nativeBuildInputs = [

     

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           gfortran

     

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           pkg-config

     

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           cmake

     

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         ];

     

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         buildInputs = [

     

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           blas

     

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           lapack

     

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         ];

     

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         # Uses a hacky python setup run by cmake, which is hard to get running

     

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         doCheck = false;

     

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         preCheck = ''

     

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           export OMP_NUM_THREADS=2

     

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         '';

     

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         meta = with lib; {

     

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           description = "Library for Green’s function based electronic structure theory calculations";

     

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           license = [ licenses.asl20 ];

     

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           homepage = "https://github.com/nomad-coe/greenX";

     

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           platforms = platforms.linux;

     

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           maintainers = [ maintainers.sheepforce ];

     

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         };

     

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       }