Merge pull request #152 from luigibonati/test_fixes

Numpy 2 update temporary fixes
luigibonati · Sep 23, 2024 · 69e702e · 69e702e
2 parents d24ed62 + a92d518
commit 69e702e
Show file tree

Hide file tree

Showing 3 changed files with 3 additions and 3 deletions.
diff --git a/devtools/conda-envs/test_env.yaml b/devtools/conda-envs/test_env.yaml
@@ -16,7 +16,7 @@ dependencies:
   - codecov
 
     # Package dependencies
-  - numpy
+  - numpy<2
   - pandas
   - pytorch
   - pydantic<2

diff --git a/mlcolvar/utils/fes.py b/mlcolvar/utils/fes.py
@@ -180,7 +180,7 @@ def compute_fes(
                 (X[:, i].min() - offset, X[:, i].max() + offset) for i in range(dim)
             ]
         grid_list = [np.linspace(b[0], b[1], num_samples) for b in bounds]
-        grid = np.meshgrid(*grid_list)
+        grid = list(np.meshgrid(*grid_list))
         positions = np.vstack([g.ravel() for g in grid]).T
 
     # divide in blocks

diff --git a/requirements.txt b/requirements.txt
@@ -1,6 +1,6 @@
 lightning
 torch
-numpy
+numpy<2
 pandas
 matplotlib
 kdepy
-Original file line number
+Diff line change
@@ Expand Up / @@ -16,7 +16,7 @@ dependencies: @@
       - codecov
         # Package dependencies
-      - numpy
+      - numpy<2
       - pandas
       - pytorch
       - pydantic<2
@@ Expand Down @@