libint: 2.8.2 -> 2.9.0
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@ -109,7 +109,7 @@ assert (builtins.elem shellSet [ "standard" "orca" ]);
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let
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pname = "libint";
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version = "2.8.1";
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version = "2.9.0";
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meta = with lib; {
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description = "Library for the evaluation of molecular integrals of many-body operators over Gaussian functions";
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@ -126,7 +126,7 @@ let
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owner = "evaleev";
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repo = pname;
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rev = "v${version}";
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hash = "sha256-0QWOJUjK7Jq4KCk77vNIrBNKOzPcc/1+Ji13IN5xUKM=";
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hash = "sha256-y+Mo8J/UWDrkkNEDAoostb/k6jrhYYeU0u9Incrd2cE=";
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};
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# Replace hardcoded "/bin/rm" with normal "rm"
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@ -139,7 +139,7 @@ let
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tests/eri/Makefile \
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tests/hartree-fock/Makefile \
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tests/unit/Makefile; do
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substituteInPlace $f --replace "/bin/rm" "rm"
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substituteInPlace $f --replace-warn "/bin/rm" "rm"
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done
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'';
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@ -211,7 +211,7 @@ let
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buildInputs = [ boost eigen ];
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# Default is just "double", but SSE2 is available on all x86_64 CPUs.
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# AVX support is advertised, but does not work in 2.6 (possibly in 2.7).
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# AVX support is advertised, but does not work.
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# Fortran interface is incompatible with changing the LIBINT2_REALTYPE.
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cmakeFlags = [
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"-DLIBINT2_SHGAUSS_ORDERING=${shGaussOrd}"
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