Generate Findgrpp.cmake, target and pkgconfig files

CMakeLists.txt

@@ -6,12 +6,29 @@
 #
 
 cmake_minimum_required(VERSION 3.19)
-project(test_libgrpp_c.x C)
-project(test_libgrpp_f90.x Fortran)
+
+include(CMakeDependentOption)
+include(CMakePackageConfigHelpers)
+
+set(VERSION_MAJOR 2023)
+set(VERSION_MINOR 12)
+set(VERSION_PATCH 14)
+
+project(libgrpp
+        DESCRIPTION "A library for the evaluation of molecular integrals of the generalized relativistic pseudopotential operator (GRPP) over Gaussian functions."
+        HOMEPAGE_URL https://github.com/aoleynichenko/libgrpp
+        VERSION ${VERSION_MAJOR}.${VERSION_MINOR}.${VERSION_PATCH}
+        LANGUAGES Fortran C)
 
 set(CMAKE_C_STANDARD 11)
 find_package(OpenMP)
 
+# imply -O3 -DNDEBUG, can be changed with cmake -DCMAKE_BUILD_TYPE=DEBUG,etc....
+
+set(CMAKE_BUILD_TYPE Release)
+
+set(libgrpp_APIVERSION ${libgrpp_VERSION_MAJOR}.${libgrpp_VERSION_MINOR})
+
 add_subdirectory(libgrpp)
 
 set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS} -O3")
@@ -43,9 +60,8 @@ add_executable(test_libgrpp_f90.x
         test_libgrpp_f90/libgrpp.f90
         )
 
-target_link_libraries(test_libgrpp_c.x libgrpp -lm ${OpenMP_C_LIBRARIES}) # -pg)
-target_link_libraries(test_libgrpp_f90.x libgrpp -lm ${OpenMP_C_LIBRARIES})
-
+target_link_libraries(test_libgrpp_c.x grpp OpenMP::OpenMP_C -m)
+target_link_libraries(test_libgrpp_f90.x grpp OpenMP::OpenMP_Fortran -lm)
 
 # enable testing functionality
 enable_testing()
@@ -63,3 +79,26 @@ add_test(NAME UO2    WORKING_DIRECTORY ../test/UO2    COMMAND bash run_test.sh)
 foreach (t KCs)
     set_property(TEST ${t} PROPERTY ENVIRONMENT "PATH=${CMAKE_BINARY_DIR}:$ENV{PATH}")
 endforeach ()
+
+include(GNUInstallDirs)
+
+write_basic_package_version_file(
+  "${PROJECT_BINARY_DIR}/grppConfigVersion.cmake"
+  VERSION "${libgrpp_VERSION}"
+  COMPATIBILITY SameMajorVersion)
+
+configure_file("${PROJECT_SOURCE_DIR}/cmake/grppConfig.cmake.in"
+               "${PROJECT_BINARY_DIR}/grppConfig.cmake" @ONLY)
+configure_file(cmake/libgrpp.pc.in libgrpp.pc @ONLY)
+
+install(FILES "${PROJECT_BINARY_DIR}/grppConfig.cmake"
+              "${PROJECT_BINARY_DIR}/grppConfigVersion.cmake"
+	      DESTINATION "${CMAKE_INSTALL_LIBDIR}/cmake/${PROJECT_NAME}")
+
+install(FILES "${PROJECT_BINARY_DIR}/libgrpp.pc"
+        DESTINATION "${CMAKE_INSTALL_LIBDIR}/pkgconfig")
+
+install(DIRECTORY libgrpp
+        DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}"
+        PATTERN "*.h")
+

cmake/grppConfig.cmake.in

@@ -0,0 +1,13 @@
+#!-------------------------------------------------------------------------------------------------!
+#!   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                                                     !
+#!-------------------------------------------------------------------------------------------------!
+
+cmake_minimum_required(VERSION 3.19)
+include(CMakeFindDependencyMacro)
+
+if(NOT TARGET grpp::grpp)
+  include("${CMAKE_CURRENT_LIST_DIR}/grppTargets.cmake")
+endif()

cmake/libgrpp.pc.in

@@ -0,0 +1,11 @@
+prefix="@CMAKE_INSTALL_PREFIX@"
+exec_prefix="${prefix}"
+libdir="${prefix}/@CMAKE_INSTALL_LIBDIR@"
+includedir="${prefix}/@CMAKE_INSTALL_INCLUDEDIR@"
+
+Name: @PROJECT_NAME@
+Description: @CMAKE_PROJECT_DESCRIPTION@
+URL: @CMAKE_PROJECT_HOMEPAGE_URL@
+Version: @PROJECT_VERSION@
+Cflags: -I"${includedir}/grpp" -I"${includedir}/grpp/@CMAKE_Fortran_COMPILER_ID@-@CMAKE_Fortran_COMPILER_VERSION@"
+Libs: -L"${libdir}" -lgrpp

libgrpp/CMakeLists.txt

@@ -5,16 +5,7 @@
 #  Copyright (C) 2021-2023 Alexander Oleynichenko
 #
 
-cmake_minimum_required(VERSION 3.19)
-project(libgrpp C)
-
-set(CMAKE_C_STANDARD 11)
-
-find_package(OpenMP)
-set(CMAKE_C_FLAGS "${CMAKE_C_FLAGS} ${OpenMP_C_FLAGS} -O3")
-#add_compile_options(-pg)
-
-add_library(libgrpp
+add_library(grpp
         angular_integrals.c
         binomial.c
         diff_gaussian.c
@@ -53,4 +44,19 @@ add_library(libgrpp
         utils.c
 )
 
-target_link_libraries(libgrpp -lm)
+target_link_libraries(grpp INTERFACE -lm)
+
+set_target_properties(grpp PROPERTIES IMPORTED_LINK_INTERFACE_LANGUAGES "C"
+                                        POSITION_INDEPENDENT_CODE ON
+                                        VERSION ${libgrpp_VERSION}
+                                        SOVERSION ${libgrpp_APIVERSION})
+include(GNUInstallDirs)
+install(
+  TARGETS grpp
+  EXPORT libgrpp_targets
+  LIBRARY DESTINATION "${CMAKE_INSTALL_LIBDIR}")
+
+install(EXPORT libgrpp_targets
+        FILE grppTargets.cmake
+        NAMESPACE grpp::
+        DESTINATION "${CMAKE_INSTALL_LIBDIR}/cmake/${PROJECT_NAME}")