Simplify huggingface downloads

.github/workflows/tests.yaml

@@ -343,11 +343,10 @@ jobs:
         run: |
           echo "COVERAGE_CORE=sysmon" >> $GITHUB_ENV
 
-      - name: Download OMAT24 small checkpoint
+      - name: huggingface hub login
         env:
-          HUGGING_FACE_TOKEN: ${{ secrets.HUGGING_FACE_TOKEN }}
-        run: |
-          curl "https://huggingface.co/fairchem/OMAT24/resolve/main/eqV2_31M_omat_mp_salex.pt" -H "Authorization: Bearer $HUGGING_FACE_TOKEN" -L --output tests/core/recipes/mlp_recipes/eqV2_31M_omat_mp_salex.pt
+          HF_TOKEN: ${{ secrets.HUGGING_FACE_TOKEN }}
+        run: huggingface-cli login --token $HF_TOKEN
 
       - name: Run tests with pytest
         run: pytest -k 'mlp or newtonnet or geodesic' --durations=10 --cov=quacc --cov-report=xml

tests/core/recipes/mlp_recipes/test_core_recipes.py

@@ -5,7 +5,6 @@
 torch = pytest.importorskip("torch")
 
 from importlib.util import find_spec
-from pathlib import Path
 
 import numpy as np
 from ase.build import bulk
@@ -55,8 +54,10 @@ def test_static_job(tmp_path, monkeypatch, method):
         _set_dtype(32)
 
     if method == "fairchem":
+        # Note that for this to work, you need HF_TOKEN env variable set!
         calc_kwargs = {
-            "checkpoint_path": Path(__file__).parent / "eqV2_31M_omat_mp_salex.pt"
+            "model_name": "EquiformerV2-31M-OMAT24-mp-salex",
+            "local_cache": "./fairchem_checkpoint_cache/",
         }
     else:
         calc_kwargs = {}
@@ -101,8 +102,10 @@ def test_relax_job(tmp_path, monkeypatch, method):
         _set_dtype(32)
 
     if method == "fairchem":
+        # Note that for this to work, you need HF_TOKEN env variable set!
         calc_kwargs = {
-            "checkpoint_path": Path(__file__).parent / "eqV2_31M_omat_mp_salex.pt"
+            "model_name": "EquiformerV2-31M-OMAT24-mp-salex",
+            "local_cache": "./fairchem_checkpoint_cache/",
         }
     else:
         calc_kwargs = {}
@@ -151,8 +154,10 @@ def test_relax_cell_job(tmp_path, monkeypatch, method):
         _set_dtype(32)
 
     if method == "fairchem":
+        # Note that for this to work, you need HF_TOKEN env variable set!
         calc_kwargs = {
-            "checkpoint_path": Path(__file__).parent / "eqV2_31M_omat_mp_salex.pt"
+            "model_name": "EquiformerV2-31M-OMAT24-mp-salex",
+            "local_cache": "./fairchem_checkpoint_cache/",
         }
     else:
         calc_kwargs = {}

tests/requirements-mlp1.txt

@@ -2,7 +2,7 @@ chgnet==0.4.0
 torch-dftd==0.5.1
 sevenn==0.10.4
 orb-models==0.4.2
-fairchem-core==1.5.0
+fairchem-core==1.7.0
 pynanoflann@git+https://github.com/dwastberg/pynanoflann
 # Requirements from fairchem-core
 torch_geometric==2.6.1