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libint: remove with statements

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Philip Taron 2024-08-16 13:58:18 -07:00
parent b77e53f552
commit 06198190ca
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1 changed files with 20 additions and 20 deletions
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40
pkgs/development/libraries/libint/default.nix
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@ -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 = ''