From d8834ca76b98b9e5514de859da6ab9949730b1da Mon Sep 17 00:00:00 2001
From: Rohit Goswami <rgoswami@ieee.org>
Date: Fri, 27 Mar 2026 02:21:12 +0100
Subject: [PATCH] chore: use metatomic_ase directly instead of
 metatomic.torch.ase_calculator

---
 pyproject.toml                | 1 +
 src/shiftml/ase/calculator.py | 2 +-
 2 files changed, 2 insertions(+), 1 deletion(-)

diff --git a/pyproject.toml b/pyproject.toml
index a694c7e..2421e9b 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -11,6 +11,7 @@ dependencies = [
     "metatensor-operations >=0.3.3,<0.4",
     "metatensor-torch >=0.7.6,<0.9",
     "metatomic-torch >=0.1.2,<0.2",
+    "metatomic-ase >=0.1.0,<0.2",
     "vesin",
     "requests",
 ]
diff --git a/src/shiftml/ase/calculator.py b/src/shiftml/ase/calculator.py
index 9523416..11a9945 100644
--- a/src/shiftml/ase/calculator.py
+++ b/src/shiftml/ase/calculator.py
@@ -4,7 +4,7 @@
 import numpy as np
 import requests
 from metatomic.torch import ModelOutput
-from metatomic.torch.ase_calculator import MetatomicCalculator
+from metatomic_ase import MetatomicCalculator
 from platformdirs import user_cache_path
 from requests.adapters import HTTPAdapter
 from urllib3.util.retry import Retry