From ea8f08c2957377cf3de3ad897185d0540468980a Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 22 Sep 2022 22:44:45 -0400
Subject: [PATCH] update "make install" for cmake to correctly install LAMMPS
 python module.

---
 cmake/CMakeLists.txt  | 9 +++++++--
 python/pyproject.toml | 2 +-
 2 files changed, 8 insertions(+), 3 deletions(-)

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 28c3d6c027..17bef6f8b8 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -840,6 +840,8 @@ if(BUILD_SHARED_LIBS OR PKG_PYTHON)
     find_package(PythonInterp) # Deprecated since version 3.12
     if(PYTHONINTERP_FOUND)
       set(Python_EXECUTABLE ${PYTHON_EXECUTABLE})
+      set(Python_VERSION_MAJOR ${PYTHON_VERSION_MAJOR})
+      set(Python_VERSION_MINOR ${PYTHON_VERSION_MINOR})
     endif()
   else()
     # backward compatibility
@@ -849,8 +851,11 @@ if(BUILD_SHARED_LIBS OR PKG_PYTHON)
     find_package(Python COMPONENTS Interpreter)
   endif()
   if(Python_EXECUTABLE)
-    file(MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/python)
-    install(CODE "execute_process(COMMAND ${Python_EXECUTABLE} setup.py build -b ${CMAKE_BINARY_DIR}/python install --prefix=${CMAKE_INSTALL_PREFIX} --root=\$ENV{DESTDIR}/ WORKING_DIRECTORY ${LAMMPS_PYTHON_DIR})")
+    file(MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/python/lib)
+    file(MAKE_DIRECTORY ${CMAKE_BINARY_DIR}/python/src)
+    file(COPY ${LAMMPS_SOURCE_DIR}/version.h  DESTINATION ${CMAKE_BINARY_DIR}/python/src)
+    file(COPY ${LAMMPS_PYTHON_DIR}/README ${LAMMPS_PYTHON_DIR}/pyproject.toml ${LAMMPS_PYTHON_DIR}/setup.py ${LAMMPS_PYTHON_DIR}/lammps  DESTINATION ${CMAKE_BINARY_DIR}/python/lib)
+    install(CODE "execute_process(COMMAND ${Python_EXECUTABLE} -m pip install ${CMAKE_BINARY_DIR}/python/lib --target=${CMAKE_INSTALL_PREFIX}/lib/python${Python_VERSION_MAJOR}.${Python_VERSION_MINOR}/site-packages)")
   endif()
 endif()
 
diff --git a/python/pyproject.toml b/python/pyproject.toml
index b5c9a51ece..b40f62a6a9 100644
--- a/python/pyproject.toml
+++ b/python/pyproject.toml
@@ -1,3 +1,3 @@
 [build-system]
-requires = [ "setuptools>=42", "wheel" ]
+requires = [ "setuptools>=42", "wheel", "build" ]
 build-backend = "setuptools.build_meta"