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DOC: Windows and F2PY #20311

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merged 12 commits into from May 4, 2022
8 changes: 7 additions & 1 deletion doc/source/f2py/index.rst
Expand Up @@ -34,9 +34,15 @@ replace all calls to ``f2py`` mentioned in this guide with the longer version.
.. toctree::
:maxdepth: 3

f2py.getting-started
f2py-user
f2py-reference

usage
python-usage
signature-file
buildtools/index
advanced
windows/index

.. _Python: https://www.python.org/
.. _NumPy: https://www.numpy.org/
34 changes: 34 additions & 0 deletions doc/source/f2py/windows/conda.rst
@@ -0,0 +1,34 @@
.. _f2py-win-conda:

=========================
F2PY and Conda on Windows
=========================

As a convienience measure, we will additionally assume the
existence of ``scoop``, which can be used to install tools without
administrative access.

.. code-block:: powershell

Invoke-Expression (New-Object System.Net.WebClient).DownloadString('https://get.scoop.sh')

Now we will setup a ``conda`` environment.

.. code-block:: powershell

scoop install miniconda3
# For conda activate / deactivate in powershell
conda install -n root -c pscondaenvs pscondaenvs
Powershell -c Set-ExecutionPolicy -ExecutionPolicy RemoteSigned -Scope CurrentUser
conda init powershell
# Open a new shell for the rest

``conda`` pulls packages from ``msys2``, however, the UX is sufficiently different enough to warrant a separate discussion.

.. warning::

As of 30-01-2022, the `MSYS2 binaries`_ shipped with ``conda`` are **outdated** and this approach is **not preferred**.



.. _MSYS2 binaries: https://github.com/conda-forge/conda-forge.github.io/issues/1044
208 changes: 208 additions & 0 deletions doc/source/f2py/windows/index.rst
@@ -0,0 +1,208 @@
.. _f2py-windows:

=================
F2PY and Windows
=================

.. warning::

F2PY support for Windows is not at par with Linux support, and
OS specific flags can be seen via ``python -m numpy.f2py``

Broadly speaking, there are two issues working with F2PY on Windows:
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- the lack of actively developed FOSS Fortran compilers, and,
- the linking issues related to the C runtime library for building Python-C extensions.

The focus of this section is to establish a guideline for developing and
extending Fortran modules for Python natively, via F2PY on Windows.

Overview
========
From a user perspective, the most UNIX compatible Windows
development environment is through emulation, either via the Windows Subsystem
on Linux, or facilitated by Docker. In a similar vein, traditional
virtualization methods like VirtualBox are also reasonable methods to develop
UNIX tools on Windows.

Native Windows support is typically stunted beyond the usage of commercial compilers.
However, as of 2022, most commercial compilers have free plans which are sufficient for
general use. Additionally, the Fortran language features supported by ``f2py``
(partial coverage of Fortran 2003), means that newer toolchains are often not
required. Briefly, then, for an end user, in order of use:

Classic Intel Compilers (commercial)
These are maintained actively, though licensing restrictions may apply as
further detailed in :ref:`f2py-win-intel`.

Suitable for general use for those building native Windows programs by
building off of MSVC.

MSYS2 (FOSS)
In conjunction with the ``mingw-w64`` project, ``gfortran`` and ``gcc``
toolchains can be used to natively build Windows programs.

Windows Subsystem for Linux
Assuming the usage of ``gfortran``, this can be used for cross-compiling
Windows applications, but is significantly more complicated.

Conda
Windows support for compilers in ``conda`` is facilitated by pulling MSYS2
binaries, however these `are outdated`_, and therefore not recommended (as of 30-01-2022).

PGI Compilers (commercial)
Unmaintained but sufficient if an existing license is present. Works
natively, but has been superseded by the Nvidia HPC SDK, with no `native
Windows support`_.

Cygwin (FOSS)
Can also be used for ``gfortran``. Howeve, the POSIX API compatibility layer provided by
Cygwin is meant to compile UNIX software on Windows, instead of building
native Windows programs. This means cross compilation is required.

The compilation suites described so far are compatible with the `now
deprecated`_ ``np.distutils`` build backend which is exposed by the F2PY CLI.
Additional build system usage (``meson``, ``cmake``) as described in
:ref:`f2py-bldsys` allows for a more flexible set of compiler
backends including:

Intel oneAPI
The newer Intel compilers (``ifx``, ``icx``) are based on LLVM and can be
used for native compilation. Licensing requirements can be onerous.

Classic Flang (FOSS)
The backbone of the PGI compilers were cannibalized to form the "classic" or
`legacy version of Flang`_. This may be compiled from source and used
natively. `LLVM Flang`_ does not support Windows yet (30-01-2022).

LFortran (FOSS)
One of two LLVM based compilers. Not all of F2PY supported Fortran can be
compiled yet (30-01-2022) but uses MSVC for native linking.


Baseline
========

For this document we will asume the following basic tools:

- The IDE being considered is the community supported `Microsoft Visual Studio Code`_
- The terminal being used is the `Windows Terminal`_
- The shell environment is assumed to be `Powershell 7.x`_
- Python 3.10 from `the Microsoft Store`_ and this can be tested with
``Get-Command python.exe`` resolving to
``C:\Users\$USERNAME\AppData\Local\Microsoft\WindowsApps\python.exe``
- The Microsoft Visual C++ (MSVC) toolset

With this baseline configuration, we will further consider a configuration
matrix as follows:

.. _table-f2py-winsup-mat:

.. table:: Support matrix, exe implies a Windows installer

+----------------------+--------------------+-------------------+
| **Fortran Compiler** | **C/C++ Compiler** | **Source** |
+======================+====================+===================+
| Intel Fortran | MSVC / ICC | exe |
+----------------------+--------------------+-------------------+
| GFortran | MSVC | MSYS2/exe |
+----------------------+--------------------+-------------------+
| GFortran | GCC | WSL |
+----------------------+--------------------+-------------------+
| Classic Flang | MSVC | Source / Conda |
+----------------------+--------------------+-------------------+
| Anaconda GFortran | Anaconda GCC | exe |
+----------------------+--------------------+-------------------+

For an understanding of the key issues motivating the need for such a matrix
`Pauli Virtanen's in-depth post on wheels with Fortran for Windows`_ is an
excellent resource. An entertaining explanation of an application binary
interface (ABI) can be found in this post by `JeanHeyd Meneide`_.

Powershell and MSVC
====================

MSVC is installed either via the Visual Studio Bundle or the lighter (preferred)
`Build Tools for Visual Studio`_ with the ``Desktop development with C++``
setting.
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.. note::

This can take a significant amount of time as it includes a download of around
2GB and requires a restart.

It is possible to use the resulting environment from a `standard command
prompt`_. However, it is more pleasant to use a `developer powershell`_,
with a `profile in Windows Terminal`_. This can be achieved by adding the
following block to the ``profiles->list`` section of the JSON file used to
configure Windows Terminal (see ``Settings->Open JSON file``):
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Not sure if this is because I'm using VS 2022, but I get slightly different outcomes. First, the developer powershell seems to be readily available from the start menu, so I didn't really need to open this JSON file.

Second, here's the output from the example code:

**********************************************************************
** Visual Studio 2022 Developer PowerShell v17.1.0
** Copyright (c) 2021 Microsoft Corporation
**********************************************************************

PS C:\Users\melissa>  echo "#include<stdio.h>" > blah.cpp; echo 'int main(){printf("Hi");return 1;}' >> blah.cpp
PS C:\Users\melissa>  cl blah.cpp
Microsoft (R) C/C++ Optimizing Compiler Versão 19.31.31104 para x86
Copyright (C) Microsoft Corporation. Todos os direitos reservados.

blah.cpp
Microsoft (R) Incremental Linker Version 14.31.31104.0
Copyright (C) Microsoft Corporation.  All rights reserved.

/out:blah.exe
blah.obj
PS C:\Users\melissa> .\blah.cpp
PS C:\Users\melissa>

Note that I don't see anything printed to the terminal when executing the program.


.. code-block:: json

{
"name": "Developer PowerShell for VS 2019",
"commandline": "powershell.exe -noe -c \"$vsPath = (Join-Path ${env:ProgramFiles(x86)} -ChildPath 'Microsoft Visual Studio\\2019\\BuildTools'); Import-Module (Join-Path $vsPath 'Common7\\Tools\\Microsoft.VisualStudio.DevShell.dll'); Enter-VsDevShell -VsInstallPath $vsPath -SkipAutomaticLocation\"",
"icon": "ms-appx:///ProfileIcons/{61c54bbd-c2c6-5271-96e7-009a87ff44bf}.png"
}

Now, testing the compiler toolchain could look like:

.. code-block:: powershell

# New Windows Developer Powershell instance / tab
# or
$vsPath = (Join-Path ${env:ProgramFiles(x86)} -ChildPath 'Microsoft Visual Studio\\2019\\BuildTools');
Import-Module (Join-Path $vsPath 'Common7\\Tools\\Microsoft.VisualStudio.DevShell.dll');
Enter-VsDevShell -VsInstallPath $vsPath -SkipAutomaticLocation
**********************************************************************
** Visual Studio 2019 Developer PowerShell v16.11.9
** Copyright (c) 2021 Microsoft Corporation
**********************************************************************
cd $HOME
echo "#include<stdio.h>" > blah.cpp; echo 'int main(){printf("Hi");return 1;}' >> blah.cpp
cl blah.cpp
.\blah.exe
# Hi
rm blah.cpp

It is also possible to check that the environment has been updated correctly
with ``$ENV:PATH``.


Windows Store Python Paths
==========================

The MS Windows version of Python discussed here installs to a non-deterministic
path using a hash. This needs to be added to the ``PATH`` variable.

.. code-block:: powershell

$Env:Path += ";$env:LOCALAPPDATA\packages\pythonsoftwarefoundation.python.3.10_qbz5n2kfra8p0\localcache\local-packages\python310\scripts"

.. toctree::
:maxdepth: 2

intel
msys2
conda
pgi


.. _the Microsoft Store: https://www.microsoft.com/en-us/p/python-310/9pjpw5ldxlz5
.. _Microsoft Visual Studio Code: https://code.visualstudio.com/Download
.. _more complete POSIX environment: https://www.cygwin.com/
.. _This MSYS2 document: https://www.msys2.org/wiki/How-does-MSYS2-differ-from-Cygwin/
.. _Build Tools for Visual Studio: https://visualstudio.microsoft.com/downloads/#build-tools-for-visual-studio-2019
.. _Windows Terminal: https://www.microsoft.com/en-us/p/windows-terminal/9n0dx20hk701?activetab=pivot:overviewtab
.. _Powershell 7.x: https://docs.microsoft.com/en-us/powershell/scripting/install/installing-powershell-on-windows?view=powershell-7.1
.. _standard command prompt: https://docs.microsoft.com/en-us/cpp/build/building-on-the-command-line?view=msvc-160#developer_command_file_locations
.. _developer powershell: https://docs.microsoft.com/en-us/visualstudio/ide/reference/command-prompt-powershell?view=vs-2019
.. _profile in Windows Terminal: https://techcommunity.microsoft.com/t5/microsoft-365-pnp-blog/add-developer-powershell-and-developer-command-prompt-for-visual/ba-p/2243078
.. _Pauli Virtanen's in-depth post on wheels with Fortran for Windows: https://pav.iki.fi/blog/2017-10-08/pywingfortran.html#building-python-wheels-with-fortran-for-windows
.. _Nvidia HPC SDK: https://www.pgroup.com/index.html
.. _JeanHeyd Meneide: https://thephd.dev/binary-banshees-digital-demons-abi-c-c++-help-me-god-please
.. _legacy version of Flang: https://github.com/flang-compiler/flang
.. _native Windows support: https://developer.nvidia.com/nvidia-hpc-sdk-downloads#collapseFour
.. _are outdated: https://github.com/conda-forge/conda-forge.github.io/issues/1044
.. _now deprecated: https://github.com/numpy/numpy/pull/20875
.. _LLVM Flang: https://releases.llvm.org/11.0.0/tools/flang/docs/ReleaseNotes.html
57 changes: 57 additions & 0 deletions doc/source/f2py/windows/intel.rst
@@ -0,0 +1,57 @@
.. _f2py-win-intel:

==============================
F2PY and Windows Intel Fortran
==============================

As of NumPy 1.23, only the classic Intel compilers (``ifort``) are supported.

.. note::

The licensing restrictions for beta software `have been relaxed`_ during
the transition to the LLVM backed ``ifx/icc`` family of compilers.
However this document does not endorse the usage of Intel in downstream
projects due to the issues pertaining to `disassembly of components and
liability`_.

Neither the Python Intel installation nor the `Classic Intel C/C++
Compiler` are required.

- The `Intel Fortran Compilers`_ come in a combined installer providing both
Classic and Beta versions; these also take around a gigabyte and a half or so.

We will consider the classic example of the generation of Fibonnaci numbers,
``fib1.f``, given by:

.. literalinclude:: ../code/fib1.f
:language: fortran

For ``cmd.exe`` fans, using the Intel oneAPI command prompt is the easiest approach, as
it loads the required environment for both ``ifort`` and ``msvc``. Helper batch
scripts are also provided.

.. code-block:: bat

# cmd.exe
"C:\Program Files (x86)\Intel\oneAPI\setvars.bat"
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Can you clarify what this line means?

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This is similar to source blah.sh in the Linux world.

python -m numpy.f2py -c fib1.f -m fib1
python -c "import fib1; import numpy as np; a=np.zeros(8); fib1.fib(a); print(a)"

Powershell usage is a little less pleasant, and this configuration now works with MSVC as:

.. code-block:: powershell

# Powershell
python -m numpy.f2py -c fib1.f -m fib1 --f77exec='C:\Program Files (x86)\Intel\oneAPI\compiler\latest\windows\bin\intel64\ifort.exe' --f90exec='C:\Program Files (x86)\Intel\oneAPI\compiler\latest\windows\bin\intel64\ifort.exe' -L'C:\Program Files (x86)\Intel\oneAPI\compiler\latest\windows\compiler\lib\ia32'
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python -c "import fib1; import numpy as np; a=np.zeros(8); fib1.fib(a); print(a)"
# Alternatively, set environment and reload Powershell in one line
cmd.exe /k '"C:\Program Files (x86)\Intel\oneAPI\setvars.bat" && powershell'
python -m numpy.f2py -c fib1.f -m fib1
python -c "import fib1; import numpy as np; a=np.zeros(8); fib1.fib(a); print(a)"

Note that the actual path to your local installation of `ifort` may vary, and the command above will need to be updated accordingly.

.. _have been relaxed: https://www.intel.com/content/www/us/en/developer/articles/release-notes/oneapi-fortran-compiler-release-notes.html
.. _disassembly of components and liability: https://software.sintel.com/content/www/us/en/develop/articles/end-user-license-agreement.html
.. _Intel Fortran Compilers: https://www.intel.com/content/www/us/en/developer/articles/tool/oneapi-standalone-components.html#inpage-nav-6-1
.. _Classic Intel C/C++ Compiler: https://www.intel.com/content/www/us/en/developer/articles/tool/oneapi-standalone-components.html#inpage-nav-6-undefined
19 changes: 19 additions & 0 deletions doc/source/f2py/windows/msys2.rst
@@ -0,0 +1,19 @@
.. _f2py-win-msys2:

===========================
F2PY and Windows with MSYS2
===========================

Follow the standard `installation instructions`_. Then, to grab the requisite Fortran compiler with ``MVSC``:

.. code-block:: bash

# Assuming a fresh install
pacman -Syu # Restart the terminal
pacman -Su # Update packages
# Get the toolchains
pacman -S --needed base-devel gcc-fortran
pacman -S mingw-w64-x86_64-toolchain


.. _`installation instructions`: https://www.msys2.org/
28 changes: 28 additions & 0 deletions doc/source/f2py/windows/pgi.rst
@@ -0,0 +1,28 @@
.. _f2py-win-pgi:

===============================
F2PY and PGI Fortran on Windows
===============================

A variant of these are part of the so called "classic" Flang, however,
as classic Flang requires a custom LLVM and compilation from sources.

.. warning::

Since the proprietary compilers are no longer available for
usage they are not recommended and will not be ported to the
new ``f2py`` CLI.



.. note::

**As of November 2021**

As of 29-01-2022, `PGI compiler toolchains`_ have been superceeded by the Nvidia
HPC SDK, with no `native Windows support`_.

However,

.. _PGI compiler toolchains: https://www.pgroup.com/index.html
.. _native Windows support: https://developer.nvidia.com/nvidia-hpc-sdk-downloads#collapseFour