signature=1a4f4cc2a4cb36682d90c0d4c84ca5da,NumPy是使用Python进行科学计算所需的基础软件包...

NumPy 1.20.0 Release Notes

This NumPy release is the largest so made to date, some 654 PRs

contributed by 182 people have been merged. See the list of highlights

below for more details. The Python versions supported for this release

are 3.7-3.9, support for Python 3.6 has been dropped. Highlights are

Annotations for NumPy functions. This work is ongoing and

improvements can be expected pending feedback from users.

Wider use of SIMD to increase execution speed of ufuncs. Much work

has been done in introducing universal functions that will ease use

of modern features across different hardware platforms. This work is

ongoing.

Preliminary work in changing the dtype and casting implementations

in order to provide an easier path to extending dtypes. This work is

ongoing but enough has been done to allow experimentation and

feedback.

Extensive documentation improvements comprising some 185 PR merges.

This work is ongoing and part of the larger project to improve

NumPy's online presence and usefulness to new users.

Further cleanups related to removing Python 2.7. This improves code

readability and removes technical debt.

Preliminary support for the upcoming Cython 3.0.

New functions

The random.Generator class has a new permuted function.

The new function differs from shuffle and permutation in that the

subarrays indexed by an axis are permuted rather than the axis being

treated as a separate 1-D array for every combination of the other

indexes. For example, it is now possible to permute the rows or columns

of a 2-D array.

sliding_window_view provides a sliding window view for numpy arrays

[numpy.lib.stride_tricks.sliding_window_view]{.title-ref} constructs

views on numpy arrays that offer a sliding or moving window access to

the array. This allows for the simple implementation of certain

algorithms, such as running means.

[numpy.broadcast_shapes]{.title-ref} is a new user-facing function

[~numpy.broadcast_shapes]{.title-ref} gets the resulting shape from

broadcasting the given shape tuples against each other.

>>> np.broadcast_shapes((1, 2), (3, 1))

(3, 2)

>>> np.broadcast_shapes(2, (3, 1))

(3, 2)

>>> np.broadcast_shapes((6, 7), (5, 6, 1), (7,), (5, 1, 7))

(5, 6, 7)

Deprecations

Using the aliases of builtin types like np.int is deprecated

For a long time, np.int has been an alias of the builtin int. This

is repeatedly a cause of confusion for newcomers, and is also simply not

useful.

These aliases have been deprecated. The table below shows the full list

of deprecated aliases, along with their exact meaning. Replacing uses of

items in the first column with the contents of the second column will

work identically and silence the deprecation warning.

In many cases, it may have been intended to use the types from the third

column. Be aware that use of these types may result in subtle but

desirable behavior changes.

Deprecated name Identical to Possibly intended numpy type

numpy.bool bool [numpy.bool_]{.title-ref}

numpy.int int [numpy.int_]{.title-ref} (default int dtype), [numpy.cint]{.title-ref} (C int)

numpy.float float [numpy.float_]{.title-ref}, [numpy.double]{.title-ref} (equivalent)

numpy.complex complex [numpy.complex_]{.title-ref}, [numpy.cdouble]{.title-ref} (equivalent)

numpy.object object [numpy.object_]{.title-ref}

numpy.str str [numpy.str_]{.title-ref}

numpy.long int (long on Python 2) [numpy.int_]{.title-ref} (C long), [numpy.longlong]{.title-ref} (largest integer type)

numpy.unicode str (unicode on Python 2) [numpy.unicode_]{.title-ref}

Note that for technical reasons these deprecation warnings will only be

emitted on Python 3.7 and above.

Passing shape=None to functions with a non-optional shape argument is deprecated

Previously, this was an alias for passing shape=(). This deprecation

is emitted by [PyArray_IntpConverter]{.title-ref} in the C API. If your

API is intended to support passing None, then you should check for

None prior to invoking the converter, so as to be able to distinguish

None and ().

Indexing errors will be reported even when index result is empty

In the future, NumPy will raise an IndexError when an integer array

index contains out of bound values even if a non-indexed dimension is of

length 0. This will now emit a DeprecationWarning. This can happen when

the array is previously empty, or an empty slice is involved:

arr1 = np.zeros((5, 0))

arr1[[20]]

arr2 = np.zeros((5, 5))

arr2[[20], :0]

Previously the non-empty index [20] was not checked for correctness.

It will now be checked causing a deprecation warning which will be

turned into an error. This also applies to assignments.

Inexact matches for mode and searchside are deprecated

Inexact and case insensitive matches for mode and searchside were

valid inputs earlier and will give a DeprecationWarning now. For

example, below are some example usages which are now deprecated and will

give a DeprecationWarning:

import numpy as np

arr = np.array([[3, 6, 6], [4, 5, 1]])

# mode: inexact match

np.ravel_multi_index(arr, (7, 6), mode="clap") # should be "clip"

# searchside: inexact match

np.searchsorted(arr[0], 4, side='random') # should be "right"

Deprecation of [numpy.dual]{.title-ref}

The module [numpy.dual]{.title-ref} is deprecated. Instead of importing

functions from [numpy.dual]{.title-ref}, the functions should be

imported directly from NumPy or SciPy.

outer and ufunc.outer deprecated for matrix

np.matrix use with [~numpy.outer]{.title-ref} or generic ufunc outer

calls such as numpy.add.outer. Previously, matrix was converted to an

array here. This will not be done in the future requiring a manual

conversion to arrays.

Further Numeric Style types Deprecated

The remaining numeric-style type codes Bytes0, Str0, Uint32,

Uint64, and Datetime64 have been deprecated. The lower-case variants

should be used instead. For bytes and string "S" and "U" are further

alternatives.

The ndincr method of ndindex is deprecated

The documentation has warned against using this function since NumPy

1.8. Use next(it) instead of it.ndincr().

Future Changes

Arrays cannot be using subarray dtypes

Array creation and casting using np.array(arr, dtype) and

arr.astype(dtype) will use different logic when dtype is a subarray

dtype such as np.dtype("(2)i,").

For such a dtype the following behaviour is true:

res = np.array(arr, dtype)

res.dtype is not dtype

res.dtype is dtype.base

res.shape == arr.shape + dtype.shape

But res is filled using the logic:

res = np.empty(arr.shape + dtype.shape, dtype=dtype.base)

res[...] = arr

which uses incorrect broadcasting (and often leads to an error). In the

future, this will instead cast each element individually, leading to the

same result as:

res = np.array(arr, dtype=np.dtype(["f", dtype]))["f"]

Which can normally be used to opt-in to the new behaviour.

This change does not affect np.array(list, dtype="(2)i,") unless the

list itself includes at least one array. In particular, the behaviour

is unchanged for a list of tuples.

Expired deprecations

The deprecation of numeric style type-codes np.dtype("Complex64")

(with upper case spelling), is expired. "Complex64" corresponded

to "complex128" and "Complex32" corresponded to "complex64".

The deprecation of np.sctypeNA and np.typeNA is expired. Both

have been removed from the public API. Use np.typeDict instead.

The 14-year deprecation of np.ctypeslib.ctypes_load_library is

expired. Use ~numpy.ctypeslib.load_library{.interpreted-text

role="func"} instead, which is identical.

Financial functions removed

In accordance with NEP 32, the financial functions are removed from

NumPy 1.20. The functions that have been removed are fv, ipmt,

irr, mirr, nper, npv, pmt, ppmt, pv, and rate. These

functions are available in the

numpy_financial library.

Compatibility notes

Same kind casting in concatenate with axis=None

When [~numpy.concatenate]{.title-ref} is called with axis=None, the

flattened arrays were cast with unsafe. Any other axis choice uses

"same kind". That different default has been deprecated and "same

kind" casting will be used instead. The new casting keyword argument

can be used to retain the old behaviour.

NumPy Scalars are cast when assigned to arrays

When creating or assigning to arrays, in all relevant cases NumPy

scalars will now be cast identically to NumPy arrays. In particular this

changes the behaviour in some cases which previously raised an error:

np.array([np.float64(np.nan)], dtype=np.int64)

will succeed and return an undefined result (usually the smallest

possible integer). This also affects assignments:

arr[0] = np.float64(np.nan)

At this time, NumPy retains the behaviour for:

np.array(np.float64(np.nan), dtype=np.int64)

The above changes do not affect Python scalars:

np.array([float("NaN")], dtype=np.int64)

remains unaffected (np.nan is a Python float, not a NumPy one).

Unlike signed integers, unsigned integers do not retain this special

case, since they always behaved more like casting. The following code

stops raising an error:

np.array([np.float64(np.nan)], dtype=np.uint64)

To avoid backward compatibility issues, at this time assignment from

datetime64 scalar to strings of too short length remains supported.

This means that np.asarray(np.datetime64("2020-10-10"), dtype="S5")

succeeds now, when it failed before. In the long term this may be

deprecated or the unsafe cast may be allowed generally to make

assignment of arrays and scalars behave consistently.

Array coercion changes when Strings and other types are mixed

When strings and other types are mixed, such as:

np.array(["string", np.float64(3.)], dtype="S")

The results will change, which may lead to string dtypes with longer

strings in some cases. In particularly, if dtype="S" is not provided

any numerical value will lead to a string results long enough to hold

all possible numerical values. (e.g. "S32" for floats). Note that you

should always provide dtype="S" when converting non-strings to

strings.

If dtype="S" is provided the results will be largely identical to

before, but NumPy scalars (not a Python float like 1.0), will still

enforce a uniform string length:

np.array([np.float64(3.)], dtype="S") # gives "S32"

np.array([3.0], dtype="S") # gives "S3"

Previously the first version gave the same result as the second.

Array coercion restructure

Array coercion has been restructured. In general, this should not affect

users. In extremely rare corner cases where array-likes are nested:

np.array([array_like1])

Things will now be more consistent with:

np.array([np.array(array_like1)])

This could potentially subtly change output for badly defined

array-likes. We are not aware of any such case where the results were

not clearly incorrect previously.

Writing to the result of [numpy.broadcast_arrays]{.title-ref} will export readonly buffers

In NumPy 1.17 [numpy.broadcast_arrays]{.title-ref} started warning when

the resulting array was written to. This warning was skipped when the

array was used through the buffer interface (e.g. memoryview(arr)).

The same thing will now occur for the two protocols

__array_interface__, and __array_struct__ returning read-only

buffers instead of giving a warning.

Numeric-style type names have been removed from type dictionaries

To stay in sync with the deprecation for np.dtype("Complex64") and

other numeric-style (capital case) types. These were removed from

np.sctypeDict and np.typeDict. You should use the lower case

versions instead. Note that "Complex64" corresponds to "complex128"

and "Complex32" corresponds to "complex64". The numpy style (new)

versions, denote the full size and not the size of the real/imaginary

part.

The operator.concat function now raises TypeError for array arguments

The previous behavior was to fall back to addition and add the two

arrays, which was thought to be unexpected behavior for a concatenation

function.

nickname attribute removed from ABCPolyBase

An abstract property nickname has been removed from ABCPolyBase as

it was no longer used in the derived convenience classes. This may

affect users who have derived classes from ABCPolyBase and overridden

the methods for representation and display, e.g. __str__, __repr__,

_repr_latex, etc.

float->timedelta and uint64->timedelta promotion will raise a TypeError

Float and timedelta promotion consistently raises a TypeError.

np.promote_types("float32", "m8") aligns with

np.promote_types("m8", "float32") now and both raise a TypeError.

Previously, np.promote_types("float32", "m8") returned "m8" which

was considered a bug.

Uint64 and timedelta promotion consistently raises a TypeError.

np.promote_types("uint64", "m8") aligns with

np.promote_types("m8", "uint64") now and both raise a TypeError.

Previously, np.promote_types("uint64", "m8") returned "m8" which was

considered a bug.

numpy.genfromtxt now correctly unpacks structured arrays

Previously, [numpy.genfromtxt]{.title-ref} failed to unpack if it was

called with unpack=True and a structured datatype was passed to the

dtype argument (or dtype=None was passed and a structured datatype

was inferred). For example:

>>> data = StringIO("21 58.0\n35 72.0")

>>> np.genfromtxt(data, dtype=None, unpack=True)

array([(21, 58.), (35, 72.)], dtype=[('f0', '

Structured arrays will now correctly unpack into a list of arrays, one

for each column:

>>> np.genfromtxt(data, dtype=None, unpack=True)

[array([21, 35]), array([58., 72.])]

mgrid, r_, etc. consistently return correct outputs for non-default precision input

Previously,

np.mgrid[np.float32(0.1):np.float32(0.35):np.float32(0.1),] and

np.r_[0:10:np.complex64(3j)] failed to return meaningful output. This

bug potentially affects [~numpy.mgrid]{.title-ref},

[~numpy.ogrid]{.title-ref}, [~numpy.r_]{.title-ref}, and

[~numpy.c_]{.title-ref} when an input with dtype other than the

default float64 and complex128 and equivalent Python types were

used. The methods have been fixed to handle varying precision correctly.

Boolean array indices with mismatching shapes now properly give IndexError

Previously, if a boolean array index matched the size of the indexed

array but not the shape, it was incorrectly allowed in some cases. In

other cases, it gave an error, but the error was incorrectly a

ValueError with a message about broadcasting instead of the correct

IndexError.

For example, the following used to incorrectly give

ValueError: operands could not be broadcast together with shapes (2,2) (1,4):

np.empty((2, 2))[np.array([[True, False, False, False]])]

And the following used to incorrectly return array([], dtype=float64):

np.empty((2, 2))[np.array([[False, False, False, False]])]

Both now correctly give

IndexError: boolean index did not match indexed array along dimension 0; dimension is 2 but corresponding boolean dimension is 1.

Casting errors interrupt Iteration

When iterating while casting values, an error may stop the iteration

earlier than before. In any case, a failed casting operation always

returned undefined, partial results. Those may now be even more

undefined and partial. For users of the NpyIter C-API such cast errors

will now cause the [iternext()]{.title-ref} function to return 0 and

thus abort iteration. Currently, there is no API to detect such an error

directly. It is necessary to check PyErr_Occurred(), which may be

problematic in combination with NpyIter_Reset. These issues always

existed, but new API could be added if required by users.

f2py generated code may return unicode instead of byte strings

Some byte strings previously returned by f2py generated code may now be

unicode strings. This results from the ongoing Python2 -> Python3

cleanup.

The first element of the __array_interface__["data"] tuple must be an integer

This has been the documented interface for many years, but there was

still code that would accept a byte string representation of the pointer

address. That code has been removed, passing the address as a byte

string will now raise an error.

poly1d respects the dtype of all-zero argument

Previously, constructing an instance of poly1d with all-zero

coefficients would cast the coefficients to np.float64. This affected

the output dtype of methods which construct poly1d instances

internally, such as np.polymul.

The numpy.i file for swig is Python 3 only.

Uses of Python 2.7 C-API functions have been updated to Python 3 only.

Users who need the old version should take it from an older version of

NumPy.

Void dtype discovery in np.array

In calls using np.array(..., dtype="V"), arr.astype("V"), and

similar a TypeError will now be correctly raised unless all elements

have the identical void length. An example for this is:

np.array([b"1", b"12"], dtype="V")

Which previously returned an array with dtype "V2" which cannot

represent b"1" faithfully.

C API changes

Size of np.ndarray and np.void_ changed

The size of the PyArrayObject and PyVoidScalarObject structures have

changed. The following header definition has been removed:

#define NPY_SIZEOF_PYARRAYOBJECT (sizeof(PyArrayObject_fields))

since the size must not be considered a compile time constant: it will

change for different runtime versions of NumPy.

The most likely relevant use are potential subclasses written in C which

will have to be recompiled and should be updated. Please see the

documentation for :cPyArrayObject{.interpreted-text role="type"} for

more details and contact the NumPy developers if you are affected by

this change.

NumPy will attempt to give a graceful error but a program expecting a

fixed structure size may have undefined behaviour and likely crash.

New Features

where keyword argument for numpy.all and numpy.any functions

The keyword argument where is added and allows to only consider

specified elements or subaxes from an array in the Boolean evaluation of

all and any. This new keyword is available to the functions all

and any both via numpy directly or in the methods of

numpy.ndarray.

Any broadcastable Boolean array or a scalar can be set as where. It

defaults to True to evaluate the functions for all elements in an

array if where is not set by the user. Examples are given in the

documentation of the functions.

where keyword argument for numpy functions mean, std, var

The keyword argument where is added and allows to limit the scope in

the calculation of mean, std and var to only a subset of elements.

It is available both via numpy directly or in the methods of

numpy.ndarray.

Any broadcastable Boolean array or a scalar can be set as where. It

defaults to True to evaluate the functions for all elements in an

array if where is not set by the user. Examples are given in the

documentation of the functions.

norm=backward, forward keyword options for numpy.fft functions

The keyword argument option norm=backward is added as an alias for

None and acts as the default option; using it has the direct

transforms unscaled and the inverse transforms scaled by 1/n.

Using the new keyword argument option norm=forward has the direct

transforms scaled by 1/n and the inverse transforms unscaled (i.e.

exactly opposite to the default option norm=backward).

NumPy is now typed

Type annotations have been added for large parts of NumPy. There is also

a new [numpy.typing]{.title-ref} module that contains useful types for

end-users. The currently available types are

ArrayLike: for objects that can be coerced to an array

DtypeLike: for objects that can be coerced to a dtype

numpy.typing is accessible at runtime

The types in numpy.typing can now be imported at runtime. Code like

the following will now work:

from numpy.typing import ArrayLike

x: ArrayLike = [1, 2, 3, 4]

New __f2py_numpy_version__ attribute for f2py generated modules.

Because f2py is released together with NumPy, __f2py_numpy_version__

provides a way to track the version f2py used to generate the module.

mypy tests can be run via runtests.py

Currently running mypy with the NumPy stubs configured requires either:

Installing NumPy

Adding the source directory to MYPYPATH and linking to the

mypy.ini

Both options are somewhat inconvenient, so add a --mypy option to

runtests that handles setting things up for you. This will also be

useful in the future for any typing codegen since it will ensure the

project is built before type checking.

Negation of user defined BLAS/LAPACK detection order

[~numpy.distutils]{.title-ref} allows negation of libraries when

determining BLAS/LAPACK libraries. This may be used to remove an item

from the library resolution phase, i.e. to disallow NetLIB libraries one

could do:

NPY_BLAS_ORDER='^blas' NPY_LAPACK_ORDER='^lapack' python setup.py build

That will use any of the accelerated libraries instead.

Allow passing optimizations arguments to asv build

It is now possible to pass -j, --cpu-baseline, --cpu-dispatch and

--disable-optimization flags to ASV build when the --bench-compare

argument is used.

The NVIDIA HPC SDK nvfortran compiler is now supported

Support for the nvfortran compiler, a version of pgfortran, has been

added.

dtype option for cov and corrcoef

The dtype option is now available for [numpy.cov]{.title-ref} and

[numpy.corrcoef]{.title-ref}. It specifies which data-type the returned

result should have. By default the functions still return a

[numpy.float64]{.title-ref} result.

Improvements

Improved string representation for polynomials (__str__)

The string representation (__str__) of all six polynomial types in

[numpy.polynomial]{.title-ref} has been updated to give the polynomial

as a mathematical expression instead of an array of coefficients. Two

package-wide formats for the polynomial expressions are available - one

using Unicode characters for superscripts and subscripts, and another

using only ASCII characters.

Remove the Accelerate library as a candidate LAPACK library

Apple no longer supports Accelerate. Remove it.

Object arrays containing multi-line objects have a more readable repr

If elements of an object array have a repr containing new lines, then

the wrapped lines will be aligned by column. Notably, this improves the

repr of nested arrays:

>>> np.array([np.eye(2), np.eye(3)], dtype=object)

array([array([[1., 0.],

[0., 1.]]),

array([[1., 0., 0.],

[0., 1., 0.],

[0., 0., 1.]])], dtype=object)

Concatenate supports providing an output dtype

Support was added to [~numpy.concatenate]{.title-ref} to provide an

output dtype and casting using keyword arguments. The dtype

argument cannot be provided in conjunction with the out one.

Thread safe f2py callback functions

Callback functions in f2py are now thread safe.

[numpy.core.records.fromfile]{.title-ref} now supports file-like objects

[numpy.rec.fromfile]{.title-ref} can now use file-like objects, for

instance :pyio.BytesIO{.interpreted-text role="class"}

RPATH support on AIX added to distutils

This allows SciPy to be built on AIX.

Use f90 compiler specified by the command line args

The compiler command selection for Fortran Portland Group Compiler is

changed in [numpy.distutils.fcompiler]{.title-ref}. This only affects

the linking command. This forces the use of the executable provided by

the command line option (if provided) instead of the pgfortran

executable. If no executable is provided to the command line option it

defaults to the pgf90 executable, wich is an alias for pgfortran

according to the PGI documentation.

Add NumPy declarations for Cython 3.0 and later

The pxd declarations for Cython 3.0 were improved to avoid using

deprecated NumPy C-API features. Extension modules built with Cython

3.0+ that use NumPy can now set the C macro

NPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION to avoid C compiler warnings

about deprecated API usage.

Make the window functions exactly symmetric

Make sure the window functions provided by NumPy are symmetric. There

were previously small deviations from symmetry due to numerical

precision that are now avoided by better arrangement of the computation.

Performance improvements and changes

Enable multi-platform SIMD compiler optimizations

A series of improvements for NumPy infrastructure to pave the way to

NEP-38, that can be summarized as follow:

New Build Arguments

--cpu-baseline to specify the minimal set of required

optimizations, default value is min which provides the minimum

CPU features that can safely run on a wide range of users

platforms.

--cpu-dispatch to specify the dispatched set of additional

optimizations, default value is max -xop -fma4 which enables

all CPU features, except for AMD legacy features.

--disable-optimization to explicitly disable the whole new

improvements, It also adds a new C compiler #definition

called NPY_DISABLE_OPTIMIZATION which it can be used as guard

for any SIMD code.

Advanced CPU dispatcher

A flexible cross-architecture CPU dispatcher built on the top of

Python/Numpy distutils, support all common compilers with a wide

range of CPU features.

The new dispatcher requires a special file extension *.dispatch.c

to mark the dispatch-able C sources. These sources have the

ability to be compiled multiple times so that each compilation

process represents certain CPU features and provides different

#definitions and flags that affect the code paths.

New auto-generated C header

``core/src/common/_cpu_dispatch.h``

This header is generated by the distutils module ccompiler_opt,

and contains all the #definitions and headers of instruction sets,

that had been configured through command arguments

'--cpu-baseline' and '--cpu-dispatch'.

New C header ``core/src/common/npy_cpu_dispatch.h``

This header contains all utilities that required for the whole CPU

dispatching process, it also can be considered as a bridge linking

the new infrastructure work with NumPy CPU runtime detection.

Add new attributes to NumPy umath module(Python level)

__cpu_baseline__ a list contains the minimal set of required

optimizations that supported by the compiler and platform

according to the specified values to command argument

'--cpu-baseline'.

__cpu_dispatch__ a list contains the dispatched set of

additional optimizations that supported by the compiler and

platform according to the specified values to command argument

'--cpu-dispatch'.

Print the supported CPU features during the run of PytestTester

Changes

Changed behavior of divmod(1., 0.) and related functions

The changes also assure that different compiler versions have the same

behavior for nan or inf usages in these operations. This was previously

compiler dependent, we now force the invalid and divide by zero flags,

making the results the same across compilers. For example, gcc-5, gcc-8,

or gcc-9 now result in the same behavior. The changes are tabulated

below:

Operator Old Warning New Warning Old Result New Result Works on MacOS

np.divmod(1.0, 0.0) Invalid Invalid and Dividebyzero nan, nan inf, nan Yes

np.fmod(1.0, 0.0) Invalid Invalid nan nan No? Yes

np.floor_divide(1.0, 0.0) Invalid Dividebyzero nan inf Yes

np.remainder(1.0, 0.0) Invalid Invalid nan nan Yes

: Summary of New Behavior

np.linspace on integers now uses floor

When using a int dtype in [numpy.linspace]{.title-ref}, previously

float values would be rounded towards zero. Now

[numpy.floor]{.title-ref} is used instead, which rounds toward -inf.

This changes the results for negative values. For example, the following

would previously give:

>>> np.linspace(-3, 1, 8, dtype=int)

array([-3, -2, -1, -1, 0, 0, 0, 1])

and now results in:

>>> np.linspace(-3, 1, 8, dtype=int)

array([-3, -3, -2, -2, -1, -1, 0, 1])

The former result can still be obtained with:

>>> np.linspace(-3, 1, 8).astype(int)

array([-3, -2, -1, -1, 0, 0, 0, 1])

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