mirror of
https://github.com/NixOS/nixpkgs.git
synced 2026-07-06 17:13:24 -05:00
97 lines
1.6 KiB
Nix
97 lines
1.6 KiB
Nix
{
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stdenv,
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lib,
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fetchFromGitHub,
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gfortran,
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buildType ? "meson",
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cmake,
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meson,
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ninja,
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pkg-config,
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python3,
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blas,
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lapack,
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mctc-lib,
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mstore,
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multicharge,
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}:
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assert !blas.isILP64 && !lapack.isILP64;
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assert (
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builtins.elem buildType [
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"meson"
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"cmake"
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]
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);
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stdenv.mkDerivation (finalAttrs: {
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pname = "dftd4";
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version = "4.2.0";
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src = fetchFromGitHub {
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owner = "dftd4";
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repo = "dftd4";
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rev = "v${finalAttrs.version}";
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hash = "sha256-uKjNOIza3/I0oREp88oFESoNqEdumo1AztIjcrVb1O8=";
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};
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patches = [
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# Fix pkg-config, meson and cmake paths for include and lib dirs
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./build-paths.patch
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];
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nativeBuildInputs = [
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gfortran
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pkg-config
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python3
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]
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++ lib.optionals (buildType == "meson") [
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meson
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ninja
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]
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++ lib.optional (buildType == "cmake") cmake;
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buildInputs = [
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blas
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lapack
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];
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propagatedBuildInputs = [
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mctc-lib
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mstore
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multicharge
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];
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cmakeFlags = [
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(lib.strings.cmakeBool "BUILD_SHARED_LIBS" (!stdenv.hostPlatform.isStatic))
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];
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outputs = [
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"out"
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"dev"
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];
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doCheck = true;
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postPatch = ''
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patchShebangs --build \
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config/install-mod.py \
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app/tester.py
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'';
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preCheck = ''
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export OMP_NUM_THREADS=2
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'';
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meta = {
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description = "Generally Applicable Atomic-Charge Dependent London Dispersion Correction";
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mainProgram = "dftd4";
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license = with lib.licenses; [
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lgpl3Plus
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gpl3Plus
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];
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homepage = "https://github.com/grimme-lab/dftd4";
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platforms = lib.platforms.linux;
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maintainers = [ lib.maintainers.sheepforce ];
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};
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})
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