50 lines
846 B
Nix
50 lines
846 B
Nix
{ stdenv
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, lib
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, fetchFromGitHub
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, cmake
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, gfortran
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, hdf5
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, python3
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, emacs
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, swig
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}:
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stdenv.mkDerivation rec {
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pname = "trexio";
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version = "2.5.0";
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src = fetchFromGitHub {
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owner = "TREX-CoE";
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repo = pname;
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rev = "v${version}";
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hash = "sha256-KP8tpwBr/ymjcXmCssdn+Xti0UKgazJSGTgVpvE+CiM=";
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};
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postPatch = ''
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patchShebangs tools/*
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'';
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nativeBuildInputs = [
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cmake
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gfortran
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emacs
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swig
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python3
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];
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buildInputs = [
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hdf5
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];
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outputs = [ "out" "dev" ];
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doCheck = true;
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meta = with lib; {
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description = "File format and library for the storage of quantum chemical wave functions";
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homepage = "https://trex-coe.github.io/trexio/";
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downloadPage = "https://github.com/TREX-CoE/trexio";
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license = licenses.bsd3;
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maintainers = [ maintainers.sheepforce ];
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};
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}
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