Commit e19e9347 authored by Phillip Seeber's avatar Phillip Seeber
Browse files

tblite: 0.3.0 -> 0.4.0

parent d0b935c7

pkgs/development/libraries/science/chemistry/tblite/default.nix

+2 −11
Original line number Diff line number Diff line
@@ -2,7 +2,6 @@ 
  stdenv,

  lib,

  fetchFromGitHub,

  fetchpatch,

  gfortran,

  meson,

  ninja,
@@ -21,23 +20,15 @@ assert !blas.isILP64 && !lapack.isILP64; 


stdenv.mkDerivation rec {

  pname = "tblite";

  version = "0.3.0";

  version = "0.4.0";



  src = fetchFromGitHub {

    owner = "tblite";

    repo = pname;

    rev = "v${version}";

    hash = "sha256-R7CAFG/x55k5Ieslxeq+DWq1wPip4cI+Yvn1cBbeVNs=";

    hash = "sha256-KV2fxB+SF4LilN/87YCvxUt4wsY4YyIV4tqnn+3/0oI=";

  };



  patches = [

    # toml-f 0.4 compatibility

    (fetchpatch {

      url = "https://github.com/tblite/tblite/commit/da759fd02b8fbf470a5c6d3df9657cca6b1d0a9a.diff";

      hash = "sha256-VaeA2VyK+Eas432HMSpJ0lXxHBBNGpfkUO1eHeWpYl0=";

    })

  ];



  nativeBuildInputs = [

    gfortran

    meson

pkgs/development/libraries/science/chemistry/tblite/python.nix

+0 −7
Original line number Diff line number Diff line
@@ -2,7 +2,6 @@ 
  lib,

  buildPythonPackage,

  pythonAtLeast,

  fetchpatch,

  meson,

  ninja,

  pkg-config,
@@ -64,12 +63,6 @@ buildPythonPackage { 
  patches = [

    # Add multicharge to the meson deps; otherwise we get missing mod_multicharge errors

    ./0001-fix-multicharge-dep-needed-for-static-compilation.patch



    # Toml-f 0.4.0 compatibility https://github.com/tblite/tblite/pull/108

    (fetchpatch {

      url = "https://github.com/tblite/tblite/commit/e4255519b58a5198a5fa8f3073bef1c78a4bbdbe.diff";

      hash = "sha256-BMwYsdWfK+vG3BFgzusLYfwo0WXrYSPxJoEJIyOvbPg=";

    })

  ];



  format = "other";