Skip to content

Update to numpy>=2 #61

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Open
nrontsis wants to merge 3 commits into
base: master
Choose a base branch
from
+8 −6
Open

Update to numpy>=2 #61

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
3 commits
Select commit Hold shift + click to select a range
9ae3ba7
Update to numpy>2
nrontsis Jan 30, 2025
65d65ce
Less strict
nrontsis Jan 30, 2025
ba4df5a
Fix
nrontsis Jun 4, 2025
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
6 changes: 3 additions & 3 deletions pyproject.toml
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
[build-system]
requires = ["setuptools>=68", "cython", "numpy < 2.0"]
requires = ["setuptools>=68", "cython", "numpy>=2.0"]
build-backend = "setuptools.build_meta"

[project]
Expand All @@ -11,13 +11,13 @@ authors = [
]
description = "A Quality Measure for Protein, Nucleic Acids and Small Ligand Docking Models"
readme = "README.md"
requires-python = ">=3.8"
requires-python = ">=3.10"
classifiers = [
"Programming Language :: Python :: 3",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
]
dependencies = ["numpy < 2.0", "biopython >= 1.79", "networkx", "parallelbar"]
dependencies = ["numpy >= 2.0", "biopython >= 1.79", "networkx", "parallelbar"]

[project.urls]
Homepage = "https://github.com/bjornwallner/DockQ"
Expand Down
Empty file modified run_test.sh
100644 → 100755
View file
Open in desktop
Empty file.
2 changes: 1 addition & 1 deletion setup.cfg
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -10,7 +10,7 @@ install_requires =
setuptools
cython
parallelbar
numpy<2.0
numpy>=2.0
biopython>=1.79
networkx

Expand Down
5 changes: 3 additions & 2 deletions setup.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -11,9 +11,10 @@
]

setup(
name="dockq",
ext_modules=cythonize(extensions),
package_data={
"src/DockQ": ["operations.pyx"],
"DockQ": ["operations.pyx"],
},
packages=["DockQ"],
package_dir={"": "src"},
)
1 change: 1 addition & 0 deletions src/DockQ/operations.pyx
View file
Open in desktop
Original file line number Diff line number Diff line change
@@ -1,6 +1,7 @@
#cython: language_level=3
import numpy as np
cimport numpy as np
np.import_array()
import cython

@cython.boundscheck(False)
Expand Down