55 lines
870 B
Nix
55 lines
870 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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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 = "2.6.0";
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src = fetchFromGitHub {
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owner = "TREX-CoE";
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repo = "trexio";
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rev = "v${version}";
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hash = "sha256-mTn/46oIvBbv7X0QwDxXQJH3QyH34u487QpLferC2Uc=";
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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 = [
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"out"
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"dev"
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];
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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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