49 lines
881 B
Nix
49 lines
881 B
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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}
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