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{
lib,
buildPythonPackage,
cmake,
eigen,
fetchFromGitHub,
mpi,
pkgconfig,
python,
# true or false to enable/disable; null to use upstream defaults
withHpmc ? null,
withMd ? null,
withMetal ? null,
withMpcd ? null,
}:
let
optionalCmakeBool = name: value: lib.optionals (value != null) [ (lib.cmakeBool name value) ];
in
buildPythonPackage rec {
version = "6.0.0";
pname = "hoomd-blue";
pyproject = false; # Built with cmake
src = fetchFromGitHub {
owner = "glotzerlab";
repo = "hoomd-blue";
tag = "v${version}";
hash = "sha256-dmDBAJU6FxMQXuMO+nE1yzOY1m6/x43eH3USBQNVu8A=";
fetchSubmodules = true;
};
nativeBuildInputs = [
cmake
pkgconfig
];
buildInputs = [
eigen
mpi
];
dependencies = with python.pkgs; [
numpy
mpi4py
pybind11
];
dontAddPrefix = true;
cmakeFlags = [
(lib.cmakeBool "BUILD_TESTING" doCheck)
(lib.cmakeFeature "CMAKE_INSTALL_PREFIX" "${placeholder "out"}/${python.sitePackages}")
]
++ optionalCmakeBool "BUILD_MD" withMd
++ optionalCmakeBool "BUILD_HPMC" withHpmc
++ optionalCmakeBool "BUILD_METAL" withMetal
++ optionalCmakeBool "BUILD_MPCD" withMpcd;
# Tests are performed as part of the installPhase when -DBUILD_TESTING=TRUE,
# not the checkPhase or installCheckPhase.
# But leave doCheck here so people can override it as they may expect.
doCheck = true;
meta = {
homepage = "https://glotzerlab.engin.umich.edu/software/";
description = "HOOMD-blue is a general-purpose particle simulation toolkit";
changelog = "https://github.com/glotzerlab/hoomd-blue/blob/${src.tag}/CHANGELOG.rst";
license = lib.licenses.bsd3;
maintainers = [ ];
};
}
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