41 lines
785 B
Nix
41 lines
785 B
Nix
{ stdenv
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, lib
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, fetchFromGitHub
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, gfortran
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, meson
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, ninja
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, pkg-config
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, python3
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, mctc-lib
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}:
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stdenv.mkDerivation rec {
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pname = "mstore";
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version = "0.2.0";
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src = fetchFromGitHub {
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owner = "grimme-lab";
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repo = pname;
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rev = "v${version}";
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hash = "sha256-dN2BulLS/ENRFVdJIrZRxgBV8S4d5+7BjTCGnhBbf4I=";
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};
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nativeBuildInputs = [ gfortran meson ninja pkg-config python3 ];
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buildInputs = [ mctc-lib ];
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outputs = [ "out" "dev" ];
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postPatch = ''
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patchShebangs --build config/install-mod.py
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'';
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meta = with lib; {
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description = "Molecular structure store for testing";
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license = licenses.asl20;
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homepage = "https://github.com/grimme-lab/mstore";
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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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