Commit 62f433d3 authored by Gaetan Lepage's avatar Gaetan Lepage
Browse files

python3Packages.freud: cleanup, fix

parent a4c70907

pkgs/development/python-modules/freud/default.nix

+24 −21
Original line number Diff line number Diff line
@@ -4,33 +4,31 @@ 
  fetchFromGitHub,



  # build-system

  scikit-build-core,

  cython,

  oldest-supported-numpy,

  numpy,

  scikit-build-core,



  # nativeBuildInputs

  cmake,

  ninja,



  # buildInputs

  onetbb,

  nanobind,

  onetbb,



  # dependencies

  numpy,

  parsnip,

  rowan,

  scipy,

  parsnip,



  # tests

  pytestCheckHook,

  python,

  gsd,

  matplotlib,

  pytestCheckHook,

  sympy,

}:



buildPythonPackage rec {

buildPythonPackage (finalAttrs: {

  pname = "freud";

  version = "3.5.0";

  pyproject = true;
@@ -38,9 +36,9 @@ buildPythonPackage rec { 
  src = fetchFromGitHub {

    owner = "glotzerlab";

    repo = "freud";

    tag = "v${version}";

    hash = "sha256-NRI3cv3yQxAwkGxh0CFYEERNkjP51Z58vtCV9GlIESY=";

    tag = "v${finalAttrs.version}";

    fetchSubmodules = true;

    hash = "sha256-NRI3cv3yQxAwkGxh0CFYEERNkjP51Z58vtCV9GlIESY=";

  };



  # Because we prefer to not `leaveDotGit`, we need to fool upstream into
@@ -54,9 +52,9 @@ buildPythonPackage rec { 
  '';



  build-system = [

    scikit-build-core

    cython

    oldest-supported-numpy

    numpy

    scikit-build-core

  ];



  nativeBuildInputs = [
@@ -65,37 +63,42 @@ buildPythonPackage rec { 
  ];

  dontUseCmakeConfigure = true;

  buildInputs = [

    onetbb

    nanobind

    onetbb

  ];



  dependencies = [

    numpy

    parsnip

    rowan

    scipy

    parsnip

  ];



  nativeCheckInputs = [

    pytestCheckHook

    gsd

    matplotlib

    pytestCheckHook

    sympy

  ];

  # 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

    rm -rf freud

  '';



  disabledTests = [

    # AttributeError: module 'scipy.special' has no attribute 'sph_harm'

    "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/${src.tag}/ChangeLog.md";

    changelog = "https://github.com/glotzerlab/freud/blob/${finalAttrs.src.tag}/ChangeLog.md";

    license = lib.licenses.bsd3;

    maintainers = with lib.maintainers; [ doronbehar ];

  };

}
 
})