Commit 0d9c130d authored by Fabian Affolter's avatar Fabian Affolter
Browse files

python312Packages.pymatgen: 2024.2.23 -> 2024.4.13 

Diff: https://github.com/materialsproject/pymatgen/compare/refs/tags/v2024.2.23...v2024.4.13

Changelog: https://github.com/materialsproject/pymatgen/releases/tag/v2024.4.13
parent 07606140

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

+15 −8
Original line number Diff line number Diff line
@@ -31,7 +31,7 @@ 


buildPythonPackage rec {

  pname = "pymatgen";

  version = "2024.2.23";

  version = "2024.4.13";

  pyproject = true;



  disabled = pythonOlder "3.8";
@@ -40,7 +40,7 @@ buildPythonPackage rec { 
    owner = "materialsproject";

    repo = "pymatgen";

    rev= "refs/tags/v${version}";

    hash = "sha256-eswoup9ACj/PHVW3obcnZjD4tWemsmROZFtwGGigEYE=";

    hash = "sha256-vjasWQgwjtoM/6Y1HwK1otMFejRWEj+YBxaIYDDSeeo=";

  };



  build-system = [
@@ -71,6 +71,12 @@ buildPythonPackage rec { 
    uncertainties

  ];



  passthru.optional-dependencies = {

    ase = [ ase ];

    joblib = [ joblib ];

    seekpath = [ seekpath ];

  };



  nativeCheckInputs = [

    pytestCheckHook

    pytest-xdist
@@ -90,14 +96,15 @@ buildPythonPackage rec { 
    "test_egg_sources_txt_is_complete"

    # borderline precision failure

    "test_thermal_conductivity"

    # AssertionError

    "test_dict_functionality"

    "test_mean_field"

    "test_potcar_not_found"

    "test_read_write_lobsterin"

    "test_snl"

    "test_unconverged"

  ];



  passthru.optional-dependencies = {

    ase = [ ase ];

    joblib = [ joblib ];

    seekpath = [ seekpath ];

  };



  pythonImportsCheck = [

    "pymatgen"

  ];