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ensured building against numpy>=2 #804

Merged
merged 5 commits into from
Jul 13, 2024
Merged

ensured building against numpy>=2 #804

merged 5 commits into from
Jul 13, 2024

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zerothi
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@zerothi zerothi commented Jul 10, 2024

numpy 2 introduced quite some changes:

  • API
  • deprecated methods
  • casting behaviour
  • tolerances in some methods

All of the above required both internal changes,
but also changes directly related to the tests.

The CI script for GA has changed drastically.
I am quite annoyed that this requires that much
attention, I am constantly battling inconsistent
fortran handling and other parts.

Now I have changed (again) to setup-fortran.
However, this jumps the deployment target for Mac
users. Thus bumping up the required OS for Mac users. I hope this won't cause too much trouble.

numpy 2 introduced quite some changes:
- API
- deprecated methods
- casting behaviour
- tolerances in some methods

All of the above required both internal changes,
but also changes directly related to the tests.

The CI script for GA has changed drastically.
I am quite annoyed that this requires that much
attention, I am constantly battling inconsistent
fortran handling and other parts.

Now I have changed (again) to setup-fortran.
However, this jumps the deployment target for Mac
users. Thus bumping up the required OS for Mac users.
I hope this won't cause too much trouble.

Signed-off-by: Nick Papior <[email protected]>
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codecov bot commented Jul 10, 2024

Codecov Report

Attention: Patch coverage is 95.65217% with 4 lines in your changes missing coverage. Please review.

Project coverage is 66.23%. Comparing base (0006cb2) to head (54a9e25).

Files Patch % Lines
src/sisl/_core/tests/test_orbital.py 60.00% 2 Missing ⚠️
src/sisl/physics/tests/test_dynamical_matrix.py 75.00% 1 Missing ⚠️
src/sisl/physics/tests/test_hamiltonian.py 97.82% 1 Missing ⚠️

❗ There is a different number of reports uploaded between BASE (0006cb2) and HEAD (54a9e25). Click for more details.

HEAD has 6 uploads less than BASE
Flag BASE (0006cb2) HEAD (54a9e25)
7 1
Additional details and impacted files
@@             Coverage Diff             @@
##             main     #804       +/-   ##
===========================================
- Coverage   87.10%   66.23%   -20.87%     
===========================================
  Files         401      401               
  Lines       51789    51714       -75     
===========================================
- Hits        45111    34253    -10858     
- Misses       6678    17461    +10783     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

Signed-off-by: Nick Papior <[email protected]>
@@ -711,8 +711,8 @@
r = _a.asarray(r)
s = r.shape[:-1]
# Convert to spherical coordinates
n, idx, r, theta, phi = cart2spher(r, theta=m != 0, cos_phi=True, maxR=self.R)
p = _a.zerosd(n)
idx, r, theta, phi = cart2spher(r, theta=m != 0, cos_phi=True, maxR=self.R)

Check failure

Code scanning / CodeQL

Mismatch in multiple assignment Error

Left hand side of assignment contains 4 variables, but right hand side is a
tuple
of length 3.
r, theta=self.m != 0, cos_phi=True, maxR=self.R
)
p = _a.zerosd(n)
idx, r, theta, phi = cart2spher(r, theta=self.m != 0, cos_phi=True, maxR=self.R)

Check failure

Code scanning / CodeQL

Mismatch in multiple assignment Error

Left hand side of assignment contains 4 variables, but right hand side is a
tuple
of length 3.
Signed-off-by: Nick Papior <[email protected]>
@zerothi zerothi merged commit 8e32840 into main Jul 13, 2024
4 of 6 checks passed
@zerothi zerothi deleted the numpy2 branch July 13, 2024 18:29
This pull request was closed.
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numpy 2.0 released -- need to bump stuff
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