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libxc: force 3rd and 4th derivatives compilation

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libxc: formatting


libxc: platforms
This commit is contained in:
Phillip Seeber 2021-11-10 12:29:53 +01:00
parent dd7f587346
commit 2a9baed906
2 changed files with 11 additions and 3 deletions
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12
pkgs/development/libraries/libxc/default.nix
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@ -17,7 +17,15 @@ stdenv.mkDerivation rec {
patchShebangs ./
'';
cmakeFlags = [ "-DENABLE_FORTRAN=ON" "-DBUILD_SHARED_LIBS=ON" ];
cmakeFlags = [
"-DENABLE_FORTRAN=ON"
"-DBUILD_SHARED_LIBS=ON"
# Force compilation of higher derivatives
"-DDISABLE_VXC=0"
"-DDISABLE_FXC=0"
"-DDISABLE_KXC=0"
"-DDISABLE_LXC=0"
];
preCheck = ''
export LD_LIBRARY_PATH=$(pwd)
@ -29,7 +37,7 @@ stdenv.mkDerivation rec {
description = "Library of exchange-correlation functionals for density-functional theory";
homepage = "https://www.tddft.org/programs/Libxc/";
license = licenses.mpl20;
platforms = [ "x86_64-linux" ];
platforms = platforms.unix;
maintainers = with maintainers; [ markuskowa ];
};
}

2
pkgs/development/libraries/science/chemistry/xcfun/default.nix
View file

@ -8,7 +8,7 @@ stdenv.mkDerivation rec {
owner = "dftlibs";
repo = pname;
rev = "v${version}";
sha256= "1bj70cnhbh6ziy02x988wwl7cbwaq17ld7qwhswqkgnnx8rpgxid";
sha256 = "1bj70cnhbh6ziy02x988wwl7cbwaq17ld7qwhswqkgnnx8rpgxid";
};
nativeBuildInputs = [