diff --git a/pyproject.toml b/pyproject.toml index ea3684f..db6ea22 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -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] @@ -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" diff --git a/run_test.sh b/run_test.sh old mode 100644 new mode 100755 diff --git a/setup.cfg b/setup.cfg index 7955081..bfe009d 100644 --- a/setup.cfg +++ b/setup.cfg @@ -10,7 +10,7 @@ install_requires = setuptools cython parallelbar - numpy<2.0 + numpy>=2.0 biopython>=1.79 networkx diff --git a/setup.py b/setup.py index 460126e..0f06982 100644 --- a/setup.py +++ b/setup.py @@ -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"}, ) diff --git a/src/DockQ/operations.pyx b/src/DockQ/operations.pyx index 282d8a9..e39ca08 100644 --- a/src/DockQ/operations.pyx +++ b/src/DockQ/operations.pyx @@ -1,6 +1,7 @@ #cython: language_level=3 import numpy as np cimport numpy as np +np.import_array() import cython @cython.boundscheck(False)