Unverified Commit 0ad7ed48 authored by Robert Schütz's avatar Robert Schütz Committed by GitHub
Browse files

Merge pull request #329962 from dotlambda/python3Packages.atomman 

python312Packages.atomman: 1.4.6-unstable-2023-07-28 -> 1.4.11
parents dfbfa17e 21037a14

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

+7 −13
Original line number Diff line number Diff line 
{

  lib,

  ase,

  buildPythonPackage,

  cython,

  datamodeldict,
@@ -11,35 +10,31 @@ 
  pandas,

  phonopy,

  potentials,

  pymatgen,

  pytestCheckHook,

  pythonOlder,

  requests,

  scipy,

  setuptools,

  toolz,

  wheel,

  xmltodict,

}:



buildPythonPackage {

buildPythonPackage rec {

  pname = "atomman";

  version = "1.4.6-unstable-2023-07-28";

  version = "1.4.11";

  pyproject = true;



  disabled = pythonOlder "3.7";

  disabled = pythonOlder "3.8";



  src = fetchFromGitHub {

    owner = "usnistgov";

    repo = "atomman";

    rev = "b8af21a9285959d38ee26173081db1b4488401bc";

    hash = "sha256-WfB+OY61IPprT6OCVHl8VA60p7lLVkRGuyYX+nm7bbA=";

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

    hash = "sha256-2yxHv9fSgLM5BeUkXV9NX+xyplXtyfWodwS9sVUVzqU=";

  };





  build-system = [

    setuptools

    wheel

    numpy

    cython

  ];
@@ -57,7 +52,7 @@ buildPythonPackage { 
    xmltodict

  ];



  pythonRelaxDeps = [ "potentials" ];

  pythonRelaxDeps = [ "atomman" ];



  preCheck = ''

    # By default, pytestCheckHook imports atomman from the current directory
@@ -68,9 +63,7 @@ buildPythonPackage { 
  '';



  nativeCheckInputs = [

    ase

    phonopy

    pymatgen

    pytestCheckHook

  ];
@@ -81,6 +74,7 @@ buildPythonPackage { 
  pythonImportsCheck = [ "atomman" ];



  meta = with lib; {

    changelog = "https://github.com/usnistgov/atomman/blob/${src.rev}/UPDATES.rst";

    description = "Atomistic Manipulation Toolkit";

    homepage = "https://github.com/usnistgov/atomman/";

    license = licenses.mit;