{ lib, stdenv, buildPythonPackage, fetchFromGitHub, fetchpatch, cmake, cython, oldest-supported-numpy, scikit-build, setuptools, tbb, numpy, rowan, scipy, pytestCheckHook, python, gsd, matplotlib, sympy, }: buildPythonPackage rec { pname = "freud"; version = "3.1.0"; pyproject = true; src = fetchFromGitHub { owner = "glotzerlab"; repo = "freud"; rev = "refs/tags/v${version}"; hash = "sha256-jlscEHQ1q4oqxE06NhVWCOlPRcjDcJVrvy4h6iYrkz0="; fetchSubmodules = true; }; patches = [ # https://github.com/glotzerlab/freud/issues/1269 (fetchpatch { url = "https://github.com/glotzerlab/freud/commit/8f636e3815737945e45da5b9996b5f69df07c9a5.patch"; hash = "sha256-PLorRrYj16oBWHYzXDq62kECzVTtyr+1Z20DJqTkXxg="; }) ]; # Because we prefer to not `leaveDotGit`, we need to fool upstream into # thinking we left the .git files in the submodules, so cmake won't think we # didn't initialize them. Upstream doesn't support using the system wide # installed version of these libraries, and it's probably aint's worth the # hassle, because upstream also doesn't distribute all of these dependencies' # libraries, and probably it uses only what it needs. preConfigure = '' touch extern/{voro++,fsph,Eigen}/.git ''; # Scipy still depends on numpy 1, and so we'd get 'package duplicates in # closure' error if we'd use numpy_2 postPatch = '' substituteInPlace pyproject.toml \ --replace-fail 'numpy>=2.0.0rc1' 'numpy' \ ''; nativeBuildInputs = [ cmake cython oldest-supported-numpy scikit-build setuptools ]; dontUseCmakeConfigure = true; buildInputs = [ tbb ]; propagatedBuildInputs = [ numpy rowan scipy ]; nativeCheckInputs = [ pytestCheckHook gsd matplotlib sympy ]; disabledTests = lib.optionals stdenv.isAarch64 [ # https://github.com/glotzerlab/freud/issues/961 "test_docstring" ]; # On top of cd $out due to https://github.com/NixOS/nixpkgs/issues/255262 , # we need to also copy the tests because otherwise pytest won't find them. preCheck = '' cp -R tests $out/${python.sitePackages}/freud/tests cd $out ''; pythonImportsCheck = [ "freud" ]; meta = { description = "Powerful, efficient particle trajectory analysis in scientific Python"; homepage = "https://github.com/glotzerlab/freud"; changelog = "https://github.com/glotzerlab/freud/blob/${src.rev}/ChangeLog.md"; license = lib.licenses.bsd3; maintainers = with lib.maintainers; [ doronbehar ]; }; }