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python-mrcz/numpy2.patch
Nico Krapp 7566b4cd05 - Update to 0.5.7 
* Renamed np.product to np.prod as the old name is deprecated in NumPy 2.0.
- Add patch new-pythons.patch to fix build with Python 3.13
- Python 2 can be finally gone

OBS-URL: https://build.opensuse.org/package/show/devel:languages:python/python-mrcz?expand=0&rev=9
2024-11-27 16:10:59 +00:00

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From 07c01ce360fd3bad884f2a3c03c5f33c0f8348cf Mon Sep 17 00:00:00 2001
From: Eric Prestat <eric.prestat@gmail.com>
Date: Sat, 22 Jun 2024 20:05:46 +0100
Subject: [PATCH 2/5] Replace `==/!=` with `is`/`is not` when comparing to
`None`
---
mrcz/ReliablePy.py | 8 ++++----
mrcz/ioMRC.py | 20 ++++++++++----------
mrcz/test_mrcz.py | 2 +-
3 files changed, 15 insertions(+), 15 deletions(-)
diff --git a/mrcz/ReliablePy.py b/mrcz/ReliablePy.py
index 64e3274..db0dc6e 100644
--- a/mrcz/ReliablePy.py
+++ b/mrcz/ReliablePy.py
@@ -398,7 +398,7 @@ def pruneParticlesNearImageEdge( self, box = None, shapeImage = [3838,3710] ):
Image size is not stored anywhere obvious in Relion, so it must be passed in in terms of
it's shape in [y,x]
"""
- if box == None:
+ if box is None:
try:
box = self.star[b'data_model_general'][b'OriginalImageSize']
except:
@@ -570,7 +570,7 @@ def saveDataStar( self, outputName, particleKey = b"data_" ):
Outputs a relion ..._data.star file that has been pruned, regrouped, etc. to outputName
"""
- if outputName == None:
+ if outputName is None:
# Need to store input star names, and figure out which was the last loaded particles.star file.
# [outFront, outExt] = os.path.splitext()
raise IOError( "Default filenames for saveDataStar not implemented yet" )
@@ -652,11 +652,11 @@ def saveDataAsPar( self, outputPrefix, N_classes = 1, mag = None, pixelsize=None
# kept track of in Relion with Magnification and DetectorPixelSize (which
# defaults to 14.0)
- if pixelsize == None:
+ if pixelsize is None:
# Detector pixel size in um, we need pixelsize in Angstrom
pixelsize = self.star[b'data_'][b'DetectorPixelSize'][0]*1E4 / self.star[b'data_'][b'Magnification'][0]
print( "Found pixelsize of %0.f" % pixelsize )
- if mag == None:
+ if mag is None:
print( "Using Relion magnification of %.f and DSTEP=%.1f" % ( self.star[b'data_'][b'Magnification'][0], self.star[b'data_'][b'DetectorPixelSize'][0]) )
print( "For a K2 (DSTEP=5.0) the appropriate magnification would be %0.f" % 50000/pixelsize )
else:
diff --git a/mrcz/ioMRC.py b/mrcz/ioMRC.py
index 998de75..c5b234b 100644
--- a/mrcz/ioMRC.py
+++ b/mrcz/ioMRC.py
@@ -282,16 +282,16 @@ def readMRC(MRCfilename, idx=None, endian='le',
if ( (header['compressor'] in REVERSE_COMPRESSOR_ENUM)
and (REVERSE_COMPRESSOR_ENUM[header['compressor']] > 0)
- and idx == None ):
+ and idx is None ):
return __MRCZImport(f, header, slices, endian=endian, fileConvention=fileConvention,
n_threads=n_threads)
# Else load as uncompressed MRC file
- if idx != None:
+ if idx is not None:
# If specific images were requested:
# TO DO: add support to read all images within a range at once
- if header['compressor'] != None:
+ if header['compressor'] is not None:
raise RuntimeError('Reading from arbitrary positions not supported for compressed files. Compressor = %s'%header['compressor'])
if np.isscalar( idx ):
indices = np.array([idx, idx], dtype='int')
@@ -370,7 +370,7 @@ def __MRCZImport(f, header, slices, endian='le', fileConvention='ccpem',
if not BLOSC_PRESENT:
raise ImportError( '`blosc` is not installed, cannot decompress file.' )
- if n_threads == None:
+ if n_threads is None:
blosc.nthreads = DEFAULT_N_THREADS
else:
blosc.nthreads = n_threads
@@ -751,7 +751,7 @@ def writeMRC(input_image, MRCfilename, meta=None, endian='le', dtype=None,
# the file exists, but idx is 'None', it will be replaced by a new file
# with new header anyway:
if os.path.isfile(MRCfilename):
- if idx == None:
+ if idx is None:
idxnewfile = True
else:
idxnewfile = False
@@ -760,11 +760,11 @@ def writeMRC(input_image, MRCfilename, meta=None, endian='le', dtype=None,
if idxnewfile:
- if dtype == 'uint4' and compressor != None:
+ if dtype == 'uint4' and compressor is not None:
raise TypeError('uint4 packing is not compatible with compression, use int8 datatype.')
header = {'meta': meta}
- if dtype == None:
+ if dtype is None:
if slices > 0:
header['dtype'] = endchar + input_image[0].dtype.descr[0][1].strip('<>|')
else:
@@ -816,7 +816,7 @@ def writeMRC(input_image, MRCfilename, meta=None, endian='le', dtype=None,
header['compressor'] = compressor
header['clevel'] = clevel
- if n_threads == None and BLOSC_PRESENT:
+ if n_threads is None and BLOSC_PRESENT:
n_threads = DEFAULT_N_THREADS
header['n_threads'] = n_threads
@@ -848,8 +848,8 @@ def writeMRC(input_image, MRCfilename, meta=None, endian='le', dtype=None,
header['meta'] = meta
# Now that we have a proper header, we go into the details of writing to a specific position:
- if idx != None:
- if header['compressor'] != None:
+ if idx is not None:
+ if header['compressor'] is not None:
raise RuntimeError('Writing at arbitrary positions not supported for compressed files. Compressor = %s' % header['compressor'])
idx = int(idx)
diff --git a/mrcz/test_mrcz.py b/mrcz/test_mrcz.py
index d76f5fa..9701cdc 100644
--- a/mrcz/test_mrcz.py
+++ b/mrcz/test_mrcz.py
@@ -23,7 +23,7 @@ def which(program):
program_ext = os.path.splitext(program)[1]
if program_ext == '':
prog_exe = which(program + '.exe')
- if prog_exe != None:
+ if prog_exe is not None:
return prog_exe
return which(program + '.com')
From 92e1b2397e2024c25b61d9eef1ed700c5bc00a4e Mon Sep 17 00:00:00 2001
From: Eric Prestat <eric.prestat@gmail.com>
Date: Sat, 22 Jun 2024 20:18:25 +0100
Subject: [PATCH 3/5] Replace deprecated `disutils.version.StrictVersion` with
`packaging.version.Version`
---
mrcz/ioMRC.py | 8 ++++----
1 file changed, 4 insertions(+), 4 deletions(-)
diff --git a/mrcz/ioMRC.py b/mrcz/ioMRC.py
index c5b234b..115044e 100644
--- a/mrcz/ioMRC.py
+++ b/mrcz/ioMRC.py
@@ -27,7 +27,7 @@
raise ImportError('Get the backport for `concurrent.futures` for Py2.7 as `pip install futures`')
raise e
from mrcz.__version__ import __version__
-from distutils.version import StrictVersion
+from packaging.version import Version
import logging
logger = logging.getLogger('MRCZ')
@@ -195,7 +195,7 @@ def _getMRCZVersion(label):
Returns
-------
- version: Optional[distutils.version.StrictVersion]
+ version: Optional[packaging.version.Version]
areturns ``None`` if `label` cannot be parsed.
"""
if isinstance(label, bytes):
@@ -207,7 +207,7 @@ def _getMRCZVersion(label):
label = label[4:]
try:
- version = StrictVersion(label)
+ version = Version(label)
return version
except ValueError:
return None
@@ -537,7 +537,7 @@ def readMRCHeader(MRCfilename, slices=None, endian='le', fileConvention = 'ccpem
# is essentially unknown (and wrong). So we have this version
# check where we force slices to be 1 (i.e. we assume it is a
# stack of 2D images).
- if mrcz_version is not None and mrcz_version < StrictVersion('0.5.0'):
+ if mrcz_version is not None and mrcz_version < Version('0.5.0'):
logger.warning('MRCZ version < 0.5.0 for file {}, assuming slices == 1.'.format(MRCfilename))
slices = 1
else:
From 1c367b3c3a5bfbffbebf36e2bf6a1eab9a668252 Mon Sep 17 00:00:00 2001
From: Eric Prestat <eric.prestat@gmail.com>
Date: Sat, 22 Jun 2024 20:20:13 +0100
Subject: [PATCH 4/5] Replace deprecated `warn` method with `warning`
---
mrcz/ioMRC.py | 8 ++++----
1 file changed, 4 insertions(+), 4 deletions(-)
diff --git a/mrcz/ioMRC.py b/mrcz/ioMRC.py
index 115044e..872ee2e 100644
--- a/mrcz/ioMRC.py
+++ b/mrcz/ioMRC.py
@@ -711,12 +711,12 @@ def writeMRC(input_image, MRCfilename, meta=None, endian='le', dtype=None,
if z_slice.dtype == np.float64 or z_slice.dtype == float:
if not WARNED_ABOUT_CASTING_F64:
- logger.warn('Casting {} to `numpy.float32`, further warnings will be suppressed.'.format(MRCfilename))
+ logger.warning('Casting {} to `numpy.float32`, further warnings will be suppressed.'.format(MRCfilename))
WARNED_ABOUT_CASTING_F64 = True
input_image[J] = z_slice.astype(np.float32)
elif z_slice.dtype == np.complex128:
if not WARNED_ABOUT_CASTING_C128:
- logger.warn('Casting {} to `numpy.complex64`, further warnings will be suppressed.'.format(MRCfilename))
+ logger.warning('Casting {} to `numpy.complex64`, further warnings will be suppressed.'.format(MRCfilename))
WARNED_ABOUT_CASTING_C128 = True
input_image[J] = z_slice.astype(np.complex64)
else:
@@ -732,12 +732,12 @@ def writeMRC(input_image, MRCfilename, meta=None, endian='le', dtype=None,
# Cast float64 -> float32, and complex128 -> complex64
if input_image.dtype == np.float64 or input_image.dtype == float:
if not WARNED_ABOUT_CASTING_F64:
- logger.warn('Casting {} to `numpy.float64`'.format(MRCfilename))
+ logger.warning('Casting {} to `numpy.float64`'.format(MRCfilename))
WARNED_ABOUT_CASTING_F64 = True
input_image = input_image.astype(np.float32)
elif input_image.dtype == np.complex128:
if not WARNED_ABOUT_CASTING_C128:
- logger.warn('Casting {} to `numpy.complex64`'.format(MRCfilename))
+ logger.warning('Casting {} to `numpy.complex64`'.format(MRCfilename))
WARNED_ABOUT_CASTING_C128 = True
input_image = input_image.astype(np.complex64)
From 97644c4a957946deb1c510d83dba3d3e2fa155ba Mon Sep 17 00:00:00 2001
From: Eric Prestat <eric.prestat@gmail.com>
Date: Sat, 22 Jun 2024 20:23:15 +0100
Subject: [PATCH 5/5] Fix numpy deprecation warning on conversion of an array
with ndim > 0 to a scalar
---
mrcz/ioMRC.py | 4 ++--
1 file changed, 2 insertions(+), 2 deletions(-)
diff --git a/mrcz/ioMRC.py b/mrcz/ioMRC.py
index 872ee2e..7a61b16 100644
--- a/mrcz/ioMRC.py
+++ b/mrcz/ioMRC.py
@@ -542,7 +542,7 @@ def readMRCHeader(MRCfilename, slices=None, endian='le', fileConvention = 'ccpem
slices = 1
else:
f.seek(36)
- slices = int(np.fromfile(f, dtype=dtype_i4, count=1))
+ slices = int(np.fromfile(f, dtype=dtype_i4, count=1)[0])
# Read in pixelsize
f.seek(40)
@@ -572,7 +572,7 @@ def readMRCHeader(MRCfilename, slices=None, endian='le', fileConvention = 'ccpem
# Size of meta-data
f.seek(92)
- header['extendedBytes'] = int(np.fromfile(f, dtype=dtype_i4, count=1))
+ header['extendedBytes'] = int(np.fromfile(f, dtype=dtype_i4, count=1)[0])
if header['extendedBytes'] > 0:
f.seek(104)
header['metaId'] = f.read(4)
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