From 6aa93c4aecf7361470d108ffd2dc8d1d48fa4001 Mon Sep 17 00:00:00 2001
From: Taillefumier Mathieu <29380261+mtaillefumier@users.noreply.github.com>
Date: Wed, 30 Aug 2023 10:59:06 +0200
Subject: [PATCH] [cmake] Add cmake module for finding the cusolver library

---
 CMakeLists.txt             |  4 ++++
 cmake/FindCal.cmake        | 33 +++++++++++++++++++++++++++++++++
 cmake/FindCuSolverMP.cmake | 37 +++++++++++++++++++++++++++++++++++++
 src/CMakeLists.txt         |  5 +++--
 4 files changed, 77 insertions(+), 2 deletions(-)
 create mode 100644 cmake/FindCal.cmake
 create mode 100644 cmake/FindCuSolverMP.cmake

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 3f81c7b524..a0a6856463 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -527,6 +527,10 @@ if(CP2K_USE_ACCEL MATCHES "CUDA")
   endif()
 
   set(CP2K_USE_CUDA ON)
+
+  if(CP2K_USE_CUSOLVER_MP)
+    find_package(CuSolverMP REQUIRED)
+  endif()
   message(STATUS ``"-- CUDA compiler and libraries found")
 elseif(CP2K_USE_ACCEL MATCHES "HIP")
   enable_language(HIP)
diff --git a/cmake/FindCal.cmake b/cmake/FindCal.cmake
new file mode 100644
index 0000000000..76ae7deab4
--- /dev/null
+++ b/cmake/FindCal.cmake
@@ -0,0 +1,33 @@
+#!-------------------------------------------------------------------------------------------------!
+#!   CP2K: A general program to perform molecular dynamics simulations                             !
+#!   Copyright 2000-2023 CP2K developers group <https://cp2k.org>                                  !
+#!                                                                                                 !
+#!   SPDX-License-Identifier: GPL-2.0-or-later                                                     !
+#!-------------------------------------------------------------------------------------------------!
+
+# Copyright (c) 2022- ETH Zurich
+#
+# authors : Mathieu Taillefumier
+
+include(FindPackageHandleStandardArgs)
+include(cp2k_utils)
+
+cp2k_set_default_paths(LIBCAL "Cal")
+
+cp2k_find_libraries(LIBCAL "cal")
+cp2k_include_dirs(LIBCAL "cal.h")
+
+find_package_handle_standard_args(Cal DEFAULT_MSG CP2K_CAL_LINK_LIBRARIES
+                                  CP2K_CAL_INCLUDE_DIRS)
+
+if(CP2K_LIBCAL_FOUND AND not TARGET CP2K::CAL::cal)
+  add_library(CP2K::CAL INTERFACE IMPORTED)
+  set_target_properties(CP2K::CAL::cal PROPERTIES INTERFACE_LINK_LIBRARIES
+                                                  "${CP2K_CAL_LINK_LIBRARIES}")
+  set_target_properties(CP2K::CAL::cal PROPERTIES INTERFACE_INCLUDE_DIRECTORIES
+                                                  "${CP2K_CAL_INCLUDE_DIRS}")
+endif()
+
+mark_as_advanced(CP2K_CAL_LINK_LIBRARIES)
+mark_as_advanced(CP2K_CAL_INCLUDE_DIRS)
+mark_as_advanced(CP2K_CAL_FOUND)
diff --git a/cmake/FindCuSolverMP.cmake b/cmake/FindCuSolverMP.cmake
new file mode 100644
index 0000000000..fe18d0fb2b
--- /dev/null
+++ b/cmake/FindCuSolverMP.cmake
@@ -0,0 +1,37 @@
+#!-------------------------------------------------------------------------------------------------!
+#!   CP2K: A general program to perform molecular dynamics simulations                             !
+#!   Copyright 2000-2023 CP2K developers group <https://cp2k.org>                                  !
+#!                                                                                                 !
+#!   SPDX-License-Identifier: GPL-2.0-or-later                                                     !
+#!-------------------------------------------------------------------------------------------------!
+
+# Copyright (c) 2022- ETH Zurich
+#
+# authors : Mathieu Taillefumier
+
+include(FindPackageHandleStandardArgs)
+include(cp2k_utils)
+
+find_package(Cal Required)
+cp2k_set_default_paths(CUSOLVER_MP "CUSOLVER_MP")
+cp2k_find_libraries(CUSOLVER_MP "cusolverMp")
+cp2k_include_dirs(CUSOLVER_MP "cusolverMp.h")
+
+find_package_handle_standard_args(
+  CuSolverMP DEFAULT_MSG CP2K_CUSOLVER_MP_LINK_LIBRARIES
+  CP2K_CUSOLVER_MP_INCLUDE_DIRS)
+
+if(CP2K_CUSOLVER_MP_FOUND AND NOT TARGET CP2K::CUSOLVER_MP::cusolver_mp)
+  add_library(CP2K::CUSOLVER_MP::cusolver_mp INTERFACE IMPORTED)
+  set_target_properties(
+    CP2K::CUSOLVER_MP::cusolver_mp
+    PROPERTIES INTERFACE_LINK_LIBRARIES
+               "${CP2K_CUSOLVER_MP_LINK_LIBRARIES};CP2K::CAL::cal")
+  set_target_properties(
+    CP2K::CUSOLVER_MP::cusolver_mp
+    PROPERTIES INTERFACE_INCLUDE_DIRECTORIES "${CP2K_CUSOLVER_MP_INCLUDE_DIRS}")
+endif()
+
+mark_as_advanced(CP2K_CUSOLVER_MP_LINK_LIBRARIES)
+mark_as_advanced(CP2K_CUSOLVER_MP_INCLUDE_DIRS)
+mark_as_advanced(CP2K_CUSOLVER_MP_FOUND)
diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt
index 6b6135ff27..cbe8f188f5 100644
--- a/src/CMakeLists.txt
+++ b/src/CMakeLists.txt
@@ -1433,8 +1433,9 @@ if(CP2K_USE_CUDA)
   else()
     target_link_libraries(
       cp2k_cuda_libs
-      INTERFACE $<$<BOOL:${CP2K_USE_CUSOLVER_MP}>:CUDA::cusolver> CUDA::cufft
-                CUDA::cufftw CUDA::cublas CUDA::cudart CUDA::cuda_driver)
+      INTERFACE $<$<BOOL:${CP2K_USE_CUSOLVER_MP}>:CP2K::CUSOLVER_MP::cusolvermp>
+                CUDA::cufft CUDA::cufftw CUDA::cublas CUDA::cudart
+                CUDA::cuda_driver)
   endif()
 endif()