Merge pull request #329962 from dotlambda/python3Packages.atomman

python312Packages.atomman: 1.4.6-unstable-2023-07-28 -> 1.4.11

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;