update versions

.gitignore

@@ -88,3 +88,5 @@ tests/test-data/ICSD/finalcif-crash.txt
 test_merged_db.sqlite
 get-pip.py
 vc_redist.x64.exe
+.python-version
+/src/structurefinder.egg-info

pyproject.toml

@@ -2,18 +2,15 @@
 requires = ["hatchling", "hatch-requirements-txt"]
 build-backend = "hatchling.build"
 
-[tool.hatch.metadata.hooks.requirements_txt]
-files = ["requirements.txt"]
-
 [project]
 name = "structurefinder"
-dynamic = ["version", "dependencies"]
+dynamic = ["version"]
 authors = [
     { name = "Daniel Kratzert", email = "dkratzert@gmx.de" },
 ]
 description = "Search X-ray structures on your hard drive"
 readme = "README.md"
-requires-python = ">=3.9"
+requires-python = ">=3.10"
 classifiers = [
     "Programming Language :: Python :: 3",
     "License :: OSI Approved :: MIT License",
@@ -22,6 +19,24 @@ classifiers = [
     "Development Status :: 5 - Production/Stable",
     "Programming Language :: Python :: 3",
 ]
+dependencies = [
+    "docutils>=0.21.2",
+    "gemmi~=0.6",
+    "macholib>=1.16.3",
+    "numpy~=2.1",
+    "pefile>=2024.8.26",
+    "pyqt5-sip~=12.13",
+    "pyqt5~=5.15",
+    "pyqt5-stubs~=5.15",
+    "pywin32-ctypes~=0.2",
+    "six>=1.17.0",
+    "requests>=2.32.3",
+    "gunicorn>=23.0.0",
+    "xlsxwriter>=3.2.0",
+    "qtawesome>=1.3.1",
+    "hatchling>=1.26.3",
+    "hatch-requirements-txt>=0.4.1",
+]
 
 [project.urls]
 "Homepage" = "https://dkratzert.de/structurefinder.html"
@@ -49,4 +64,4 @@ exclude = [
 strf = "structurefinder.strf:main"
 structurefinder = "structurefinder.strf:main"
 strf_cmd = "structurefinder.strf_cmd:main"
-strf_web = "structurefinder.cgi_ui.strf_web:run"
+strf_web = "structurefinder.cgi_ui.strf_web:run"

requirements.txt

@@ -1,7 +1,6 @@
-altgraph
 docutils
 macholib
-numpy<2.0
+numpy~=2.1
 pefile
 PyQt5~=5.15
 PyQt5-sip~=12.13
@@ -12,4 +11,4 @@ requests
 gemmi~=0.6
 gunicorn
 xlsxwriter
-qtawesome
+qtawesome