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2.2 kB · 109 lines
Nix
at master
123456789101112131415161718192021222324252627282930313233343536373839404142434445464748495051525354555657585960616263646566676869707172737475767778798081828384858687888990919293949596979899100101102103104105106107108109110{ lib, buildPythonPackage, fetchFromGitHub,
# build-system cython, numpy, scikit-build-core,
# nativeBuildInputs cmake, ninja,
# buildInputs nanobind, onetbb,
# dependencies parsnip, rowan, scipy,
# tests gsd, matplotlib, pytestCheckHook, sympy,}:
buildPythonPackage (finalAttrs: { pname = "freud"; version = "3.5.0"; pyproject = true;
src = fetchFromGitHub { owner = "glotzerlab"; repo = "freud"; tag = "v${finalAttrs.version}"; fetchSubmodules = true; hash = "sha256-NRI3cv3yQxAwkGxh0CFYEERNkjP51Z58vtCV9GlIESY="; };
# Because we prefer to not `leaveDotGit`, we need to fool upstream into # thinking we left the .git files in the submodules, so cmake won't think we # didn't initialize them. Upstream doesn't support using the system wide # installed version of these libraries, and it's probably aint's worth the # hassle, because upstream also doesn't distribute all of these dependencies' # libraries, and probably it uses only what it needs. preConfigure = '' touch extern/{voro++,fsph,Eigen}/.git '';
build-system = [ cython numpy scikit-build-core ];
nativeBuildInputs = [ cmake ninja ]; dontUseCmakeConfigure = true; buildInputs = [ nanobind onetbb ];
dependencies = [ numpy parsnip rowan scipy ];
nativeCheckInputs = [ gsd matplotlib pytestCheckHook sympy ]; # https://github.com/NixOS/nixpkgs/issues/255262 preCheck = '' rm -rf freud '';
disabledTests = [ # 4 tests fail with: # # AttributeError: module 'scipy.special' has no attribute 'sph_harm' # # See: https://github.com/glotzerlab/freud/issues/1408 "test_ld" "test_multiple_l" "test_qlmi" "test_query_point_ne_points" ];
pythonImportsCheck = [ "freud" ];
meta = { description = "Powerful, efficient particle trajectory analysis in scientific Python"; homepage = "https://github.com/glotzerlab/freud"; changelog = "https://github.com/glotzerlab/freud/blob/${finalAttrs.src.tag}/ChangeLog.md"; license = lib.licenses.bsd3; maintainers = with lib.maintainers; [ doronbehar ]; };})