Unverified Commit 06198190 authored by Philip Taron's avatar Philip Taron
Browse files

libint: remove with statements

parent b77e53f5

pkgs/development/libraries/libint/default.nix

+20 −20
Original line number Diff line number Diff line
@@ -111,11 +111,11 @@ let 
  pname = "libint";

  version = "2.9.0";



  meta = with lib; {

  meta = {

    description = "Library for the evaluation of molecular integrals of many-body operators over Gaussian functions";

    homepage = "https://github.com/evaleev/libint";

    license = with licenses; [ lgpl3Only gpl3Only ];

    maintainers = with maintainers; [ markuskowa sheepforce ];

    license = with lib.licenses; [ lgpl3Only gpl3Only ];

    maintainers = with lib.maintainers; [ markuskowa sheepforce ];

    platforms = [ "x86_64-linux" ];

  };
@@ -155,31 +155,31 @@ let 


    buildInputs = [ boost eigen ];



    configureFlags = with lib; [

    configureFlags = [

      "--with-max-am=${builtins.toString maxAm}"

      "--with-eri-max-am=${concatStringsSep "," (builtins.map builtins.toString eriAm)}"

      "--with-eri3-max-am=${concatStringsSep "," (builtins.map builtins.toString eri3Am)}"

      "--with-eri2-max-am=${concatStringsSep "," (builtins.map builtins.toString eri2Am)}"

      "--with-eri-opt-am=${concatStringsSep "," (builtins.map builtins.toString eriOptAm)}"

      "--with-eri3-opt-am=${concatStringsSep "," (builtins.map builtins.toString eri3OptAm)}"

      "--with-eri2-opt-am=${concatStringsSep "," (builtins.map builtins.toString eri2OptAm)}"

      "--with-eri-max-am=${lib.concatStringsSep "," (builtins.map builtins.toString eriAm)}"

      "--with-eri3-max-am=${lib.concatStringsSep "," (builtins.map builtins.toString eri3Am)}"

      "--with-eri2-max-am=${lib.concatStringsSep "," (builtins.map builtins.toString eri2Am)}"

      "--with-eri-opt-am=${lib.concatStringsSep "," (builtins.map builtins.toString eriOptAm)}"

      "--with-eri3-opt-am=${lib.concatStringsSep "," (builtins.map builtins.toString eri3OptAm)}"

      "--with-eri2-opt-am=${lib.concatStringsSep "," (builtins.map builtins.toString eri2OptAm)}"

      "--with-cartgauss-ordering=${cartGaussOrd}"

      "--with-shgauss-ordering=${shGaussOrd}"

      "--with-shell-set=${shellSet}"

    ]

    ++ optional enableFMA "--enable-fma"

    ++ optional (eriDeriv > 0) "--enable-eri=${builtins.toString eriDeriv}"

    ++ optional (eri2Deriv > 0) "--enable-eri2=${builtins.toString eri2Deriv}"

    ++ optional (eri3Deriv > 0) "--enable-eri3=${builtins.toString eri3Deriv}"

    ++ lists.optionals enableOneBody [

    ++ lib.optional enableFMA "--enable-fma"

    ++ lib.optional (eriDeriv > 0) "--enable-eri=${builtins.toString eriDeriv}"

    ++ lib.optional (eri2Deriv > 0) "--enable-eri2=${builtins.toString eri2Deriv}"

    ++ lib.optional (eri3Deriv > 0) "--enable-eri3=${builtins.toString eri3Deriv}"

    ++ lib.optionals enableOneBody [

      "--enable-1body=${builtins.toString oneBodyDerivOrd}"

      "--enable-1body-property-derivs"

    ]

    ++ optional (multipoleOrd > 0) "--with-multipole-max-order=${builtins.toString multipoleOrd}"

    ++ optional enableGeneric "--enable-generic"

    ++ optional enableContracted "--enable-contracted-ints"

    ++ optional eri3PureSh "--enable-eri3-pure-sh"

    ++ optional eri2PureSh "--enable-eri2-pure-sh"

    ++ lib.optional (multipoleOrd > 0) "--with-multipole-max-order=${builtins.toString multipoleOrd}"

    ++ lib.optional enableGeneric "--enable-generic"

    ++ lib.optional enableContracted "--enable-contracted-ints"

    ++ lib.optional eri3PureSh "--enable-eri3-pure-sh"

    ++ lib.optional eri2PureSh "--enable-eri2-pure-sh"

    ;



    preConfigure = ''