Add CMake build support for find_package(QUIP)

cmake/QUIPConfig.cmake.in

@@ -0,0 +1,79 @@
+@PACKAGE_INIT@
+
+include(CMakeFindDependencyMacro)
+find_dependency(BLAS)
+find_dependency(LAPACK)
+
+# Find QUIP libraries
+find_library(QUIP_POTENTIALS_LIBRARY NAMES Potentials HINTS "${PACKAGE_PREFIX_DIR}/lib")
+find_library(QUIP_LIBATOMS_LIBRARY NAMES libAtoms HINTS "${PACKAGE_PREFIX_DIR}/lib")
+find_library(QUIP_FOX_LIBRARY NAMES fox HINTS "${PACKAGE_PREFIX_DIR}/lib")
+find_library(QUIP_UTILS_LIBRARY NAMES Utils HINTS "${PACKAGE_PREFIX_DIR}/lib")
+# f90wrap stub provides f90wrap_abort for non-Python usage
+find_library(QUIP_F90WRAP_STUB_LIBRARY NAMES f90wrap_stub HINTS "${PACKAGE_PREFIX_DIR}/lib")
+
+# GAP is optional
+set(QUIP_HAS_GAP @QUIP_HAS_GAP@)
+if(QUIP_HAS_GAP)
+    find_library(QUIP_GAP_LIBRARY NAMES GAP HINTS "${PACKAGE_PREFIX_DIR}/lib")
+endif()
+
+# Create imported targets
+if(QUIP_FOX_LIBRARY)
+    add_library(QUIP::fox SHARED IMPORTED)
+    set_target_properties(QUIP::fox PROPERTIES IMPORTED_LOCATION "${QUIP_FOX_LIBRARY}")
+endif()
+
+# f90wrap stub target (static library providing f90wrap_abort for non-Python usage)
+if(QUIP_F90WRAP_STUB_LIBRARY)
+    add_library(QUIP::f90wrap_stub STATIC IMPORTED)
+    set_target_properties(QUIP::f90wrap_stub PROPERTIES IMPORTED_LOCATION "${QUIP_F90WRAP_STUB_LIBRARY}")
+endif()
+
+if(QUIP_LIBATOMS_LIBRARY)
+    add_library(QUIP::libAtoms SHARED IMPORTED)
+    set_target_properties(QUIP::libAtoms PROPERTIES
+        IMPORTED_LOCATION "${QUIP_LIBATOMS_LIBRARY}"
+        INTERFACE_LINK_LIBRARIES "QUIP::f90wrap_stub;QUIP::fox;${BLAS_LIBRARIES};${LAPACK_LIBRARIES}")
+endif()
+
+if(QUIP_HAS_GAP AND QUIP_GAP_LIBRARY)
+    add_library(QUIP::GAP SHARED IMPORTED)
+    set_target_properties(QUIP::GAP PROPERTIES
+        IMPORTED_LOCATION "${QUIP_GAP_LIBRARY}"
+        INTERFACE_LINK_LIBRARIES "QUIP::libAtoms")
+endif()
+
+if(QUIP_POTENTIALS_LIBRARY)
+    add_library(QUIP::Potentials SHARED IMPORTED)
+    set_target_properties(QUIP::Potentials PROPERTIES
+        IMPORTED_LOCATION "${QUIP_POTENTIALS_LIBRARY}")
+    if(QUIP_HAS_GAP)
+        set_target_properties(QUIP::Potentials PROPERTIES
+            INTERFACE_LINK_LIBRARIES "QUIP::GAP;QUIP::libAtoms")
+    else()
+        set_target_properties(QUIP::Potentials PROPERTIES
+            INTERFACE_LINK_LIBRARIES "QUIP::libAtoms")
+    endif()
+endif()
+
+if(QUIP_UTILS_LIBRARY)
+    add_library(QUIP::Utils SHARED IMPORTED)
+    set_target_properties(QUIP::Utils PROPERTIES
+        IMPORTED_LOCATION "${QUIP_UTILS_LIBRARY}"
+        INTERFACE_LINK_LIBRARIES "QUIP::Potentials")
+endif()
+
+# Unified target for convenience
+add_library(QUIP::QUIP INTERFACE IMPORTED)
+if(QUIP_HAS_GAP)
+    set_target_properties(QUIP::QUIP PROPERTIES
+        INTERFACE_LINK_LIBRARIES "QUIP::Utils;QUIP::Potentials;QUIP::GAP;QUIP::libAtoms;QUIP::fox")
+else()
+    set_target_properties(QUIP::QUIP PROPERTIES
+        INTERFACE_LINK_LIBRARIES "QUIP::Utils;QUIP::Potentials;QUIP::libAtoms;QUIP::fox")
+endif()
+
+set(QUIP_FOUND TRUE)
+set(QUIP_LIBRARIES QUIP::QUIP)
+set(QUIP_VERSION @QUIP_VERSION@)

meson.build

@@ -108,3 +108,23 @@ endif
 
 subdir('src')
 
+# CMake package config generation for find_package(QUIP) support
+cmake = import('cmake')
+
+cmake_conf = configuration_data()
+cmake_conf.set('QUIP_VERSION', meson.project_version())
+cmake_conf.set('QUIP_HAS_GAP', get_option('gap') ? 'TRUE' : 'FALSE')
+
+cmake.write_basic_package_version_file(
+    name: 'QUIP',
+    version: meson.project_version(),
+    compatibility: 'SameMajorVersion',
+    install_dir: get_option('libdir') / 'cmake' / 'QUIP'
+)
+
+cmake.configure_package_config_file(
+    name: 'QUIP',
+    input: 'cmake/QUIPConfig.cmake.in',
+    configuration: cmake_conf,
+    install_dir: get_option('libdir') / 'cmake' / 'QUIP'
+)

src/Potentials/meson.build

@@ -95,4 +95,5 @@ Potentials = library('Potentials',
     ],
   link_with : [libAtoms,fox,GAP],
   link_args: openmp_link_args,
+  install: true,
   )

src/Utils/meson.build

@@ -18,4 +18,5 @@ Utils = library('Utils',
     ],
   link_with : [libAtoms,fox,GAP,Potentials],
   link_args: openmp_link_args,
+  install: true,
   )

src/libAtoms/meson.build

@@ -61,9 +61,11 @@ libAtoms_c_sources = [
   'xyz.c',
   'sockets.c',
 ]
-# Create static library for f90wrap stub (linked only with standalone programs)
+# Create static library for f90wrap stub (linked with standalone programs and external users)
+# This provides the f90wrap_abort implementation for non-Python usage
 f90wrap_stub_lib = static_library('f90wrap_stub',
   'f90wrap_stub.F90',
+  install: true,
 )
 
 # Platform-specific link args
@@ -84,4 +86,5 @@ libAtoms = library('libAtoms',
   c_args: ['-DPROTOTYPES=1'],
   link_args: libatoms_link_args,
   override_options: ['b_lundef=false'],  # Allow undefined symbols
+  install: true,
   )