python3Packages.atomman: cleanup

This commit is contained in:
Gaetan Lepage
2026-03-25 21:51:09 +00:00
parent 7dd777fe84
commit 9540aa9c7a
@@ -1,24 +1,31 @@
{
lib,
buildPythonPackage,
cython,
datamodeldict,
fetchFromGitHub,
# build-system
cython,
numpy,
setuptools,
# dependencies
datamodeldict,
matplotlib,
numericalunits,
numpy,
pandas,
phonopy,
potentials,
pytestCheckHook,
requests,
scipy,
setuptools,
toolz,
xmltodict,
# tests
phonopy,
pytestCheckHook,
}:
buildPythonPackage rec {
buildPythonPackage (finalAttrs: {
pname = "atomman";
version = "1.5.2";
pyproject = true;
@@ -26,14 +33,14 @@ buildPythonPackage rec {
src = fetchFromGitHub {
owner = "usnistgov";
repo = "atomman";
tag = "v${version}";
tag = "v${finalAttrs.version}";
hash = "sha256-UmvMYVM1YmLvSaVLzWHdxYpRU+Z3z65cy7mfmDZfDG0=";
};
build-system = [
setuptools
numpy
cython
numpy
setuptools
];
dependencies = [
@@ -65,16 +72,17 @@ buildPythonPackage rec {
];
disabledTests = [
"test_unique_shifts_prototype" # needs network access to download database files
# needs network access to download database files
"test_unique_shifts_prototype"
];
pythonImportsCheck = [ "atomman" ];
meta = {
changelog = "https://github.com/usnistgov/atomman/blob/${src.rev}/UPDATES.rst";
changelog = "https://github.com/usnistgov/atomman/blob/${finalAttrs.src.tag}/UPDATES.rst";
description = "Atomistic Manipulation Toolkit";
homepage = "https://github.com/usnistgov/atomman/";
license = lib.licenses.mit;
maintainers = [ ];
};
}
})