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Nix Packages collection & NixOS github.com/NixOS/nixpkgs
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buildPythonPackage (finalAttrs: { pname = "atomman"; version = "1.5.3"; pyproject = true;
src = fetchFromGitHub { owner = "usnistgov"; repo = "atomman"; tag = "v${finalAttrs.version}"; hash = "sha256-9QDc4V1q179WupJEWYHyP8qs1afoB9OojjkGL1QlS5M="; };
postPatch = '' # Upstream limits setuptools to top-level atomman only substituteInPlace pyproject.toml \ --replace-fail "packages = ['atomman']" "packages = {find = {include = [\"atomman*\"]}}" '';
build-system = [ cython numpy setuptools ];
dependencies = [ datamodeldict matplotlib numericalunits numpy pandas potentials requests scipy toolz xmltodict ];
pythonRelaxDeps = [ "atomman" ];
preCheck = '' # By default, pytestCheckHook imports atomman from the current directory # instead of from where `pip` installs it and fails due to missing Cython # modules. Fix this by removing atomman from the current directory. # rm -r atomman '';
nativeCheckInputs = [ phonopy pytestCheckHook writableTmpDirAsHomeHook ];
disabledTests = [ # needs network access to download database files "test_unique_shifts_prototype" ];
pythonImportsCheck = [ "atomman" ];
meta = { description = "Atomistic Manipulation Toolkit"; homepage = "https://github.com/usnistgov/atomman/"; changelog = "https://github.com/usnistgov/atomman/blob/${finalAttrs.src.tag}/UPDATES.rst"; license = lib.licenses.mit; maintainers = [ ]; };})