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From 758cec338057b23007ffd14c960634ff0ee24af1 Mon Sep 17 00:00:00 2001
From: Jarrett Johnson <jarrett.johnson@schrodinger.com>
Date: Tue, 27 Aug 2024 20:06:57 -0400
Subject: [PATCH] Make numpy2 compatible
---
layer2/ObjectMap.cpp | 1 +
modules/chempy/brick.py | 2 +-
2 files changed, 2 insertions(+), 1 deletion(-)
diff --git a/layer2/ObjectMap.cpp b/layer2/ObjectMap.cpp
index ada826f8a..62e3457a4 100644
--- 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
index fc514eb3a..e4c0f1bbb 100644
--- 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()
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