python3Packages.hoomd-blue: 2.3.4 -> 6.0.0, unbreak (#448353)

{

  lib,

  buildPythonPackage,

  fetchgit,

  cmake,

  eigen,

  fetchFromGitHub,

  mpi,

  pkgconfig,

  python,

  mpi ? null,

  # true or false to enable/disable; null to use upstream defaults

  withHpmc ? null,

  withMd ? null,

  withMetal ? null,

  withMpcd ? null,

}:

let

  components = {

    cgcmm = true;

    depreciated = true;

    hpmc = true;

    md = true;

    metal = true;

  };

  onOffBool = b: if b then "ON" else "OFF";

  withMPI = (mpi != null);

  optionalCmakeBool = name: value: lib.optionals (value != null) [ (lib.cmakeBool name value) ];

in

buildPythonPackage rec {

  version = "2.3.4";

  version = "6.0.0";

  pname = "hoomd-blue";

  pyproject = false; # Built with cmake

  src = fetchgit {

    url = "https://bitbucket.org/glotzer/hoomd-blue";

    rev = "v${version}";

    sha256 = "0in49f1dvah33nl5n2qqbssfynb31pw1ds07j8ziryk9w252j1al";

  };

  passthru = {

    inherit components mpi;

  src = fetchFromGitHub {

    owner = "glotzerlab";

    repo = "hoomd-blue";

    tag = "v${version}";

    hash = "sha256-dmDBAJU6FxMQXuMO+nE1yzOY1m6/x43eH3USBQNVu8A=";

    fetchSubmodules = true;

  };

  nativeBuildInputs = [

    cmake

    pkgconfig

  ];

  buildInputs = lib.optionals withMPI [ mpi ];

  propagatedBuildInputs = [ python.pkgs.numpy ] ++ lib.optionals withMPI [ python.pkgs.mpi4py ];

  buildInputs = [

    eigen

    mpi

  ];

  dependencies = with python.pkgs; [

    numpy

    mpi4py

    pybind11

  ];

  dontAddPrefix = true;

  cmakeFlags = [

    "-DENABLE_MPI=${onOffBool withMPI}"

    "-DBUILD_CGCMM=${onOffBool components.cgcmm}"

    "-DBUILD_DEPRECIATED=${onOffBool components.depreciated}"

    "-DBUILD_HPMC=${onOffBool components.hpmc}"

    "-DBUILD_MD=${onOffBool components.md}"

    "-DBUILD_METAL=${onOffBool components.metal}"

    "-DCMAKE_INSTALL_PREFIX=${placeholder "out"}/${python.sitePackages}"

  ];

    (lib.cmakeBool "BUILD_TESTING" doCheck)

    (lib.cmakeFeature "CMAKE_INSTALL_PREFIX" "${placeholder "out"}/${python.sitePackages}")

  ]

  ++ optionalCmakeBool "BUILD_MD" withMd

  ++ optionalCmakeBool "BUILD_HPMC" withHpmc

  ++ optionalCmakeBool "BUILD_METAL" withMetal

  ++ optionalCmakeBool "BUILD_MPCD" withMpcd;

  # tests fail but have tested that package runs properly

  doCheck = false;

  checkTarget = "test";

  # Tests are performed as part of the installPhase when -DBUILD_TESTING=TRUE,

  # not the checkPhase or installCheckPhase.

  # But leave doCheck here so people can override it as they may expect.

  doCheck = true;

  meta = {

    homepage = "http://glotzerlab.engin.umich.edu/hoomd-blue/";

    homepage = "https://glotzerlab.engin.umich.edu/software/";

    description = "HOOMD-blue is a general-purpose particle simulation toolkit";

    license = lib.licenses.bsdOriginal;

    platforms = [ "x86_64-linux" ];

    changelog = "https://github.com/glotzerlab/hoomd-blue/blob/${src.tag}/CHANGELOG.rst";

    license = lib.licenses.bsd3;

    maintainers = [ ];

    # Has compilation errors since some dependencies got updated, will probably

    # be fixed if updated by itself to the latest version.

    broken = true;

  };

}