Make numpy2 compatible

schrodinger · Aug 28, 2024 · 758cec3 · 758cec3
1 parent 0a41392
commit 758cec3
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Showing 2 changed files with 2 additions and 1 deletion.
diff --git a/layer2/ObjectMap.cpp b/layer2/ObjectMap.cpp
@@ -5596,6 +5596,7 @@ static int ObjectMapNumPyArrayToMapState(PyMOLGlobals * G, ObjectMapState * ms,
   void * ptr;
 
 #ifdef _PYMOL_NUMPY
+  import_array1(0);
   PyArrayObject * pao = (PyArrayObject *) ary;
   const int itemsize = PyArray_ITEMSIZE(pao);
 #endif

diff --git a/modules/chempy/brick.py b/modules/chempy/brick.py
@@ -31,7 +31,7 @@ def from_numpy(cls, data, grid, origin=(0.0, 0.0, 0.0)):
         @param range: 3f sequence
         @param origin: 3f sequence
         '''
-        data = numpy.asfarray(data)
+        data = numpy.asarray(data, dtype=numpy.float64)
         assert len(data.shape) == 3
 
         self = cls()