From 9540aa9c7a7fb60ade13eafc19495f035072055d Mon Sep 17 00:00:00 2001 From: Gaetan Lepage Date: Wed, 25 Mar 2026 21:51:09 +0000 Subject: [PATCH] python3Packages.atomman: cleanup --- .../python-modules/atomman/default.nix | 34 ++++++++++++------- 1 file changed, 21 insertions(+), 13 deletions(-) diff --git a/pkgs/development/python-modules/atomman/default.nix b/pkgs/development/python-modules/atomman/default.nix index 4d75c8eb2e74..412eb22f84c8 100644 --- a/pkgs/development/python-modules/atomman/default.nix +++ b/pkgs/development/python-modules/atomman/default.nix @@ -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 = [ ]; }; -} +})