From 9dffe9553961f3f7e9fc4e73eb149b21561a418f Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Julian=20Ho=C3=9Fbach?= <julian.hossbach@gmx.de>
Date: Sun, 17 Mar 2024 09:30:45 +0100
Subject: [PATCH 1/3] add pyproject and setup

---
 pyproject.toml | 9 +++++++++
 setup.py       | 6 ++++++
 2 files changed, 15 insertions(+)
 create mode 100644 pyproject.toml
 create mode 100644 setup.py

diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 00000000000..3e7982fd085
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,9 @@
+[build-system]
+requires = [
+  "setuptools>=42",
+  "scikit-build>=0.13",
+  "cmake>=3.18",
+  "numpy>=1.23",
+  "cython>=0.29.21,<=3.0.7",
+]
+build-backend = "setuptools.build_meta"
diff --git a/setup.py b/setup.py
new file mode 100644
index 00000000000..dc82d421980
--- /dev/null
+++ b/setup.py
@@ -0,0 +1,6 @@
+from skbuild import setup
+
+setup(
+    name="espressomd",
+    version="4.3",
+)

From d4ca38db09b85fef66c0a4a39a36f7a411486497 Mon Sep 17 00:00:00 2001
From: Julian Hossbach <julian.hossbach@gmx.de>
Date: Wed, 27 Mar 2024 12:12:23 +0100
Subject: [PATCH 2/3] move to scikit-build-core, metadata

---
 CMakeLists.txt | 12 ++----------
 pyproject.toml | 23 ++++++++++++++++++++---
 setup.py       |  6 ------
 3 files changed, 22 insertions(+), 19 deletions(-)
 delete mode 100644 setup.py

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 7c40cb72a7c..f7d2c7616b5 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -265,17 +265,9 @@ set(ESPRESSO_INSTALL_LIBDIR "${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR}")
 
 # python site-packages, can be overriden with CMake options
 if(ESPRESSO_BUILD_WITH_PYTHON)
-  if(NOT ESPRESSO_INSTALL_PYTHON)
-    if(CMAKE_INSTALL_PREFIX STREQUAL "/")
-      set(ESPRESSO_INSTALL_PYTHON "${Python_SITEARCH}")
-    else()
-      set(ESPRESSO_INSTALL_PYTHON
-          "${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR}/python${Python_VERSION_MAJOR}.${Python_VERSION_MINOR}/site-packages"
-      )
-    endif()
-  endif()
   # override: package C++, CUDA and Cython shared objects together
-  set(ESPRESSO_INSTALL_LIBDIR "${ESPRESSO_INSTALL_PYTHON}/espressomd")
+	set(ESPRESSO_INSTALL_PYTHON "${Python_SITEARCH}")
+	set(ESPRESSO_INSTALL_LIBDIR "${ESPRESSO_INSTALL_PYTHON}/espressomd")
 endif()
 
 #
diff --git a/pyproject.toml b/pyproject.toml
index 3e7982fd085..81e753edde8 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -1,9 +1,26 @@
 [build-system]
 requires = [
-  "setuptools>=42",
-  "scikit-build>=0.13",
+  "scikit-build-core",
   "cmake>=3.18",
   "numpy>=1.23",
   "cython>=0.29.21,<=3.0.7",
 ]
-build-backend = "setuptools.build_meta"
+build-backend = "scikit_build_core.build"
+
+[project]
+name = "espressomd"
+version = "4.3"
+requires-python = ">=3.9"
+dependencies = [
+  "numpy>=1.23"
+]
+description = "Extensible Simulation Package for Research on Soft Matter Systems"
+readme = "Readme.md"
+authors = [{name = "The ESPResSo project"}]
+license = {file = "COPYING"}
+
+[project.urls]
+Homepage = "https://espressomd.org"
+Repository = "https://github.com/espressomd/espresso"
+Issues = "https://github.com/espressomd/espresso/issues"
+Documentation = "https://espressomd.github.io/"
diff --git a/setup.py b/setup.py
deleted file mode 100644
index dc82d421980..00000000000
--- a/setup.py
+++ /dev/null
@@ -1,6 +0,0 @@
-from skbuild import setup
-
-setup(
-    name="espressomd",
-    version="4.3",
-)

From 44d9ea89754f0cf474008cf194174470685f3f39 Mon Sep 17 00:00:00 2001
From: Julian Hossbach <julian.hossbach@gmx.de>
Date: Wed, 27 Mar 2024 14:51:13 +0100
Subject: [PATCH 3/3] fix CI

---
 CMakeLists.txt | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/CMakeLists.txt b/CMakeLists.txt
index f7d2c7616b5..fb8f628a382 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -266,8 +266,8 @@ set(ESPRESSO_INSTALL_LIBDIR "${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR}")
 # python site-packages, can be overriden with CMake options
 if(ESPRESSO_BUILD_WITH_PYTHON)
   # override: package C++, CUDA and Cython shared objects together
-	set(ESPRESSO_INSTALL_PYTHON "${Python_SITEARCH}")
-	set(ESPRESSO_INSTALL_LIBDIR "${ESPRESSO_INSTALL_PYTHON}/espressomd")
+  set(ESPRESSO_INSTALL_PYTHON "${Python_SITEARCH}")
+  set(ESPRESSO_INSTALL_LIBDIR "${ESPRESSO_INSTALL_PYTHON}/espressomd")
 endif()
 
 #