Commit 63175989 authored by Loic Huder's avatar Loic Huder
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Written f2py part into 30_wrapping.ipynb

parent 62b842f2
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# Wrapping codes in static languages
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## Fortran with [f2py](https://docs.scipy.org/doc/numpy/f2py/)
`f2py` is a tool that allows to call Fortran code into Python. It is a part of `numpy` meaning that to use it, we only need to install and import numpy (which should already be done if you do scientific Python !) :
```bash
pip3 install numpy
```
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### How does it work ?
The documentation gives several ways to wrap Fortran codes but it all boils down to the same thing:
**f2py allows to wrap the Fortran code in a Python module that can be then imported**
Given this simple Fortran (F90) snippet, that computes the sum of squares of the element of an array:
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*pyfiles/f2py/file_to_wrap.f90*
```fortran
subroutine sum_squares(A, res)
implicit none
real, dimension(:) :: A
real :: res
integer :: i, N
N = size(A)
res = 0.
do i=1, N
res = res + A(i)*A(i)
end do
end subroutine
```
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The Fortran code can then be wrapped in one command:
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```bash
# Syntax: python3 -m numpy.f2py -c <Fortran_files> -m <module_name>
python3 -m numpy.f2py -c "../pyfiles/f2py/file_to_wrap.f90" -m wrap_f90
```
This command calls the module `f2py` of `numpy` to compile (`-c`) *file_to_wrap.f90* into a Python module (`-m`) named *wrap_f90*. The module can then be imported in Python:
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``` python
import numpy as np
import wrap_f90
A = np.ones(10)
result = 0.
wrap_f90.sum_squares(A, result)
print(result)
```
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### With intents
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In Fortran, it is considered best practice to put intents to subroutine arguments. This also helps `f2py` to wrap efficiently the code but also changes the subroutine a bit.
Let's wrap the code updated with intents:
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*pyfiles/f2py/file_to_wrap2.f90*
```fortran
subroutine sum_squares(A, res)
implicit none
real, dimension(:), intent(in) :: A
real, intent(out) :: res
integer :: i, N
N = size(A)
res = 0.
do i=1, N
res = res + A(i)*A(i)
end do
end subroutine
```
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Again, we wrap...
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```bash
python3 -m numpy.f2py -c "../pyfiles/f2py/file_to_wrap2.f90" -m wrap_f90
```
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And we import...
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``` python
import numpy as np
import wrap_f90
A = np.ones(10)
result = wrap_f90.sum_squares(A)
print(result)
```
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This time, f2py recognized that `result` was a outgoing arg. As a consequence, the subroutine was wrapped smartly and made to return the arg.
Note that using a `function` (in the Fortran sense of the term) leads to the same result (see the other example in *pyfiles/f2py/file_to_wrap2.f90*).
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### With modules
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In Fortran, it is also considered best practice to organize the subroutines in modules. These are highly similar to Python modules and are in fact, intepreted as such by f2py !
Consider the following code that implements the dtw and cort computations in Fortran:
*pyfiles/dtw_cort_dist/V9_fortran/dtw_cort.f90*
```fortran
module dtw_cort
implicit none
contains
subroutine dtwdistance(s1, s2, dtw_result)
! Computes the dtw between s1 and s2 with distance the absolute distance
doubleprecision, intent(in) :: s1(:), s2(:)
doubleprecision, intent(out) :: dtw_result
integer :: i, j
integer :: len_s1, len_s2
doubleprecision :: dist
doubleprecision, allocatable :: dtw_mat(:, :)
len_s1 = size(s1)
len_s2 = size(s1)
allocate(dtw_mat(len_s1, len_s2))
dtw_mat(1, 1) = dabs(s1(1) - s2(1))
do j = 2, len_s2
dist = dabs(s1(1) - s2(j))
dtw_mat(1, j) = dist + dtw_mat(1, j-1)
end do
do i = 2, len_s1
dist = dabs(s1(i) - s2(1))
dtw_mat(i, 1) = dist + dtw_mat(i-1, 1)
end do
! Fill the dtw_matrix
do i = 2, len_s1
do j = 2, len_s2
dist = dabs(s1(i) - s2(j))
dtw_mat(i, j) = dist + dmin1(dtw_mat(i - 1, j), &
dtw_mat(i, j - 1), &
dtw_mat(i - 1, j - 1))
end do
end do
dtw_result = dtw_mat(len_s1, len_s2)
end subroutine dtwdistance
doubleprecision function cort(s1, s2)
! Computes the cort between s1 and s2 (assuming they have the same length)
doubleprecision, intent(in) :: s1(:), s2(:)
integer :: len_s1, t
doubleprecision :: slope_1, slope_2
doubleprecision :: num, sum_square_x, sum_square_y
len_s1 = size(s1)
num = 0
sum_square_x = 0
sum_square_y = 0
do t=1, len_s1 - 1
slope_1 = s1(t + 1) - s1(t)
slope_2 = s2(t + 1) - s2(t)
num = num + slope_1 * slope_2
sum_square_x = sum_square_x + slope_1 * slope_1
sum_square_y = sum_square_y + slope_2 * slope_2
end do
cort = num / (dsqrt(sum_square_x*sum_square_y))
end function cort
end module dtw_cort
```
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The subroutines `dtwdistance` and `cort` are part of the `dtw_cort` module. The file can be wrapped as before
```bash
python3 -m numpy.f2py -c "../pyfiles/dtw_cort_dist/V9_fortran/dtw_cort.f90" -m distances_fort
```
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But the import slighlty changes as `dtw_cort` is now a module of `distances_fort`:
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``` python
import numpy as np
from distances_fort import dtw_cort
cort_result = dtw_cort.cort(s1, s2)
print(cort_result)
```
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Note that the wrapping integrates the documentation of the function (if written...) !
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``` python
from distances_fort import dtw_cort
print(dtw_cort.cort.__doc__)
```
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### To go further...
Running the command `python3 -m numpy.f2py` (without arguments) gives a lot of information on the supported arguments for further uses of `f2py`. Know that you can this way:
* Specify the compiler to use
* Give the compiler flags (warnings, optimisations...)
* Specify the functions to wrap
* ...
The documentation of f2py (https://docs.scipy.org/doc/numpy/f2py/) can also help, covering notably:
* `Cf2py` directives to overcome F77 limitations (e.g. intents)
* How to integrate Fortran sources to your Python packages and compile them on install
* How to use `f2py` inside Python scripts
* ...
......
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