python3Packages.ase: 3.25.0-unstable-2025-06-24 -> 3.26.0 and... (d72e72c8) · Commits · nix / nixpkgs

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

+5 −6

Original line number	Diff line number	Diff line
		@@ -3,8 +3,6 @@
		stdenv,
		fetchFromGitLab,
		buildPythonPackage,
		isPy27,
		fetchPypi,
		pythonAtLeast,

		# build-system
		@@ -29,14 +27,14 @@

		buildPythonPackage rec {
		pname = "ase";
		version = "3.25.0-unstable-2025-06-24";
		version = "3.26.0";
		pyproject = true;

		src = fetchFromGitLab {
		owner = "ase";
		repo = "ase";
		rev = "4e22dabfbe7ae2329e50260ca1b6f08a83527ac3";
		hash = "sha256-ehMyVtPxfTxT8T418VyLGnUEyYip4LPTTaGL0va7qgM=";
		tag = version;
		hash = "sha256-1738NQPgOqSr2PZu1T2b9bL0V+ZzGk2jcWBhLF21VQs=";
		};

		build-system = [ setuptools ];
		@@ -79,7 +77,8 @@ buildPythonPackage rec {

		meta = {
		description = "Atomic Simulation Environment";
		homepage = "https://wiki.fysik.dtu.dk/ase/";
		homepage = "https://ase-lib.org/";
		changelog = "https://ase-lib.org/releasenotes.html";
		license = lib.licenses.lgpl21Plus;
		maintainers = [ ];
		};

+11 −0

Original line number	Diff line number	Diff line
		@@ -79,6 +79,17 @@ buildPythonPackage rec {
		"test_examples"
		];

		# Broken due to use of missing _get_constraints attr in ase >= 3.26.0
		# https://github.com/SINGROUP/dscribe/issues/160
		disabledTestPaths = [
		"tests/test_examples.py::test_examples"
		"tests/test_general.py::test_atoms_to_system"
		"tests/test_lmbtr.py"
		"tests/test_mbtr.py"
		"tests/test_sinematrix.py"
		"tests/test_valle_oganov.py"
		];

		meta = {
		description = "Machine learning descriptors for atomistic systems";
		homepage = "https://github.com/SINGROUP/dscribe";