Unverified Commit d03a4482 authored by Markus Kowalewski's avatar Markus Kowalewski Committed by GitHub
Browse files

Merge pull request #300903 from sheepforce/libint 

libint: 2.8.2 -> 2.9.0
parents 122959e6 7d4615df

pkgs/development/libraries/libint/default.nix

+4 −4
Original line number Diff line number Diff line
@@ -109,7 +109,7 @@ assert (builtins.elem shellSet [ "standard" "orca" ]); 


let

  pname = "libint";

  version = "2.8.1";

  version = "2.9.0";



  meta = with lib; {

    description = "Library for the evaluation of molecular integrals of many-body operators over Gaussian functions";
@@ -126,7 +126,7 @@ let 
      owner = "evaleev";

      repo = pname;

      rev = "v${version}";

      hash = "sha256-0QWOJUjK7Jq4KCk77vNIrBNKOzPcc/1+Ji13IN5xUKM=";

      hash = "sha256-y+Mo8J/UWDrkkNEDAoostb/k6jrhYYeU0u9Incrd2cE=";

    };



    # Replace hardcoded "/bin/rm" with normal "rm"
@@ -139,7 +139,7 @@ let 
        tests/eri/Makefile \

        tests/hartree-fock/Makefile \

        tests/unit/Makefile; do

          substituteInPlace $f --replace "/bin/rm" "rm"

          substituteInPlace $f --replace-warn "/bin/rm" "rm"

      done

    '';
@@ -211,7 +211,7 @@ let 
    buildInputs = [ boost eigen ];



    # Default is just "double", but SSE2 is available on all x86_64 CPUs.

    # AVX support is advertised, but does not work in 2.6 (possibly in 2.7).

    # AVX support is advertised, but does not work.

    # Fortran interface is incompatible with changing the LIBINT2_REALTYPE.

    cmakeFlags = [

      "-DLIBINT2_SHGAUSS_ORDERING=${shGaussOrd}"