diff --git a/pkgs/development/python-modules/atomman/default.nix b/pkgs/development/python-modules/atomman/default.nix index 6728f39269ec..2c878ac8798a 100644 --- a/pkgs/development/python-modules/atomman/default.nix +++ b/pkgs/development/python-modules/atomman/default.nix @@ -1,6 +1,5 @@ { 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;