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What happens if I push all of nixpkgs
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1.7 kB · 91 lines
Nix
at llvm-cleanup
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buildPythonPackage { pname = "atomman"; version = "1.4.6-unstable-2023-07-28"; pyproject = true;
disabled = pythonOlder "3.7";
src = fetchFromGitHub { owner = "usnistgov"; repo = "atomman"; rev = "b8af21a9285959d38ee26173081db1b4488401bc"; hash = "sha256-WfB+OY61IPprT6OCVHl8VA60p7lLVkRGuyYX+nm7bbA="; };
nativeBuildInputs = [ pythonRelaxDepsHook ];
build-system = [ setuptools wheel numpy cython ];
dependencies = [ datamodeldict matplotlib numericalunits numpy pandas potentials requests scipy toolz xmltodict ];
pythonRelaxDeps = [ "potentials" ];
preCheck = '' # By default, pytestCheckHook imports atomman from the current directory # instead of from where `pip` installs it and fails due to missing Cython # modules. Fix this by removing atomman from the current directory. # rm -r atomman '';
nativeCheckInputs = [ ase phonopy pymatgen pytestCheckHook ];
disabledTests = [ "test_unique_shifts_prototype" # needs network access to download database files ];
pythonImportsCheck = [ "atomman" ];
meta = with lib; { description = "Atomistic Manipulation Toolkit"; homepage = "https://github.com/usnistgov/atomman/"; license = licenses.mit; maintainers = with maintainers; [ ]; };}