compile with numpy 2.0 (#109)

* compile with numpy 2.0

* upgrade pytables (3.10 is first numpy 2.0 compat)

* deprecate python3.9 build, not working with Pytables anymore

.github/workflows/ci.yml

@@ -16,7 +16,7 @@ jobs:
       fail-fast: false
       matrix:
         os: ["ubuntu-latest", "macos-latest", "windows-latest"]
-        python-version: ["3.9", "3.10", "3.11", "3.12"]
+        python-version: ["3.10", "3.11", "3.12"]
     steps:
       - uses: actions/checkout@v3
       - uses: actions/setup-python@v4

.github/workflows/wheels.yml

@@ -42,10 +42,6 @@ jobs:
       matrix:
         include:
           # Windows 64 bit
-          - os: windows-latest
-            bitness: 64
-            python: 39
-            platform_id: win_amd64
           - os: windows-latest
             bitness: 64
             python: 310
@@ -60,11 +56,6 @@ jobs:
             platform_id: win_amd64
 
           # Linux 64 bit manylinux2014
-          - os: ubuntu-latest
-            bitness: 64
-            python: 39
-            platform_id: manylinux_x86_64
-            manylinux_image: manylinux2014
           - os: ubuntu-latest
             bitness: 64
             python: 310
@@ -82,10 +73,6 @@ jobs:
             manylinux_image: manylinux2014
 
           # MacOS x86_64
-          - os: macos-latest
-            bitness: 64
-            python: 39
-            platform_id: macosx_x86_64
           - os: macos-latest
             bitness: 64
             python: 310
@@ -100,10 +87,6 @@ jobs:
             platform_id: macosx_x86_64
 
           # MacOS arm64
-          - os: macos-latest
-            bitness: 64
-            python: 39
-            platform_id: macosx_arm64
           - os: macos-latest
             bitness: 64
             python: 310

FPSim2/__init__.py

@@ -5,4 +5,4 @@
 except Exception as e:
     pass
 
-__version__ = "0.5.1"
+__version__ = "0.5.2"

pyproject.toml

@@ -1,3 +1,3 @@
 [build-system]
-requires = ["pybind11>=2.2", "setuptools>=61.0.0"]
+requires = ["pybind11>=2.2", "numpy>=2.0", "setuptools>=61.0.0"]
 build-backend = "setuptools.build_meta"

setup.py

@@ -135,19 +135,18 @@ def build_extensions(self):
     ext_modules=ext_modules,
     install_requires=[
         "rdkit>=2022.3.3",
-        "tables>=3.9.1",
+        "tables>=3.10",
         "numpy >=1.14",
         "sqlalchemy>=1.4.47",
         "scipy",
         "tqdm",
     ],
     cmdclass={"build_ext": BuildExt},
-    python_requires=">=3.9",
+    python_requires=">=3.10",
     zip_safe=False,
     classifiers=[
         "Development Status :: 4 - Beta",
         "License :: OSI Approved :: MIT License",
-        "Programming Language :: Python :: 3.9",
         "Programming Language :: Python :: 3.10",
         "Programming Language :: Python :: 3.11",
         "Programming Language :: Python :: 3.12",