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