646b892680
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38 lines
772 B
Nix
38 lines
772 B
Nix
{
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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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python3,
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}:
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stdenv.mkDerivation rec {
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pname = "xcfun";
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version = "2.1.1";
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src = fetchFromGitHub {
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owner = "dftlibs";
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repo = "xcfun";
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rev = "v${version}";
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sha256 = "1bj70cnhbh6ziy02x988wwl7cbwaq17ld7qwhswqkgnnx8rpgxid";
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};
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nativeBuildInputs = [
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cmake
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gfortran
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];
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propagatedBuildInputs = [ (python3.withPackages (p: with p; [ pybind11 ])) ];
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cmakeFlags = [ "-DXCFUN_MAX_ORDER=3" ];
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meta = with lib; {
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description = "Library of exchange-correlation functionals with arbitrary-order derivatives";
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homepage = "https://github.com/dftlibs/xcfun";
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license = licenses.mpl20;
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platforms = platforms.unix;
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maintainers = [ maintainers.sheepforce ];
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};
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}
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