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{
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 ];
};
}
|
