finufft/cufinufft 2.3.0rc1

pyproject.toml

@@ -31,9 +31,7 @@ dependencies = [
     "click",
     "confuse >= 2.0.0",
     "cvxpy",
-    # finufft 2.2.0 doesn't seemt to run on GHA Windows CI...
-    "finufft==2.2.0 ; sys_platform != 'win32'",
-    "finufft==2.1.0 ; sys_platform == 'win32'",
+    "finufft==2.3.0",
     "gemmi >= 0.6.5",
     "grpcio >= 1.54.2",
     "joblib",
@@ -61,7 +59,7 @@ dependencies = [
 "Source" = "https://github.com/ComputationalCryoEM/ASPIRE-Python"
 
 [project.optional-dependencies]
-gpu-12x = ["cupy-cuda12x", "cufinufft==2.2.0"]
+gpu-12x = ["cupy-cuda12x", "cufinufft==2.3.0"]
 dev = [
     "black",
     "bumpversion",

src/aspire/source/image.py

@@ -2,7 +2,6 @@
 import functools
 import logging
 import os.path
-import types
 from abc import ABC, abstractmethod
 from collections import OrderedDict
 from collections.abc import Iterable
@@ -213,40 +212,6 @@ def __init__(
 
         logger.info(f"Creating {self.__class__.__name__} with {len(self)} images.")
 
-    def __deepcopy__(self, memo):
-        """
-        A custom __deepcopy__ implementation to individually handle special cases.
-        Mostly copied over from https://stackoverflow.com/a/71125311
-        """
-        # Get a reference to the bound deepcopy method
-        deepcopy_method = self.__deepcopy__
-        # Temporarily disable __deepcopy__ to avoid infinite recursion
-        self.__deepcopy__ = None
-        # Create a deepcopy cp using the normal procedure
-        cp = copy.deepcopy(self, memo)
-
-        # --------------------------------------
-        # Handle any special cases for cp here.
-        # --------------------------------------
-        # This is the whole reason this method exists. If this section is empty,
-        # then this entire __deepcopy__ implementation can be removed.
-
-        # The 'dtype' attribute is a numpy module level singleton obtained by np.dtype(..) call
-        # The 'finufft' library currently compares this to the result of a new np.dtype(..) call
-        # by reference, not by value (as it should). A deepcopy will make a copy of the singleton,
-        # and thus comparison by reference will fail. Till this bug in 'finufft' is removed, we assign
-        # self.dtype to dtype
-        cp.dtype = self.dtype
-
-        # --------------------------------------
-
-        # Reattach the bound deepcopy method
-        self.__deepcopy__ = deepcopy_method
-        # Get the unbounded function corresponding to the bound deepcopy method and rebind to cp
-        cp.__deepcopy__ = types.MethodType(deepcopy_method.__func__, cp)
-
-        return cp
-
     @property
     def symmetry_group(self):
         """

src/aspire/volume/volume.py

@@ -672,15 +672,9 @@ def load(cls, filename, permissive=True, dtype=None, symmetry_group=None):
         :return: Volume instance.
         """
         with mrcfile.open(filename, permissive=permissive) as mrc:
-            loaded_data = mrc.data
+            loaded_data = mrc.data.copy()  # Allow mutation
             pixel_size = Volume._vx_array_to_size(mrc.voxel_size)
 
-        # FINUFFT work around
-        if loaded_data.dtype == np.float32:
-            loaded_data = loaded_data.astype(np.float32)
-        elif loaded_data.dtype == np.float64:
-            loaded_data = loaded_data.astype(np.float64)
-
         if loaded_data.dtype != dtype:
             logger.info(f"{filename} with dtype {loaded_data.dtype} loaded as {dtype}")