Reorganize and cleanup code

Author: pabloferz

Diff for: CMakeLists.txt

@@ -7,7 +7,7 @@ project(dlext LANGUAGES C CXX)
 find_package(HOOMD 2.6.0 QUIET)
 
 set(PROJECT_MODULE_PATH "${CMAKE_CURRENT_SOURCE_DIR}/cmake/Modules")
-set(CMAKE_MODULE_PATH  ${CMAKE_MODULE_PATH} ${PROJECT_MODULE_PATH})
+set(CMAKE_MODULE_PATH ${CMAKE_MODULE_PATH} ${PROJECT_MODULE_PATH})
 
 if(NOT HOOMD_FOUND)
     find_package(HOOMD 2.6.0 REQUIRED)
@@ -17,6 +17,11 @@ if(NOT HOOMD_INSTALL_PREFIX)
     set(HOOMD_INSTALL_PREFIX ${HOOMD_ROOT})
 endif()
 
+if(NOT HOOMD_LIBRARIES)
+    set(HOOMD_LIBRARIES HOOMD::_hoomd)
+endif()
+
+include(GNUInstallDirs)
 include("${PROJECT_MODULE_PATH}/FetchCPM.cmake")
 include("${PROJECT_MODULE_PATH}/FetchDLPack.cmake")
 
@@ -29,8 +34,28 @@ if(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT)
     set(CMAKE_INSTALL_PREFIX ${HOOMD_INSTALL_PREFIX} CACHE PATH "" FORCE)
 endif()
 
+set(CMAKE_INSTALL_RPATH_USE_LINK_PATH TRUE)
+
 message(STATUS "Install plugin to: " ${CMAKE_INSTALL_PREFIX})
 
-# Process subdirectories
-add_subdirectory(${PROJECT_NAME})
+# Create the main library
+add_library(${PROJECT_NAME} SHARED "")
+
+target_compile_features(${PROJECT_NAME} PRIVATE cxx_std_11)
+target_include_directories(${PROJECT_NAME} PUBLIC include)
+target_link_libraries(${PROJECT_NAME} PUBLIC ${HOOMD_LIBRARIES} dlpack::dlpack)
+
+add_subdirectory(dlext)
+
+# Install
+install(TARGETS ${PROJECT_NAME}
+    DESTINATION ${HOOMD_ROOT}
+)
+
+install(DIRECTORY include/
+    DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}/hoomd/${PROJECT_NAME}"
+    FILES_MATCHING PATTERN "*.h"
+)
+
+# Create python module
 add_subdirectory(python)

Diff for: dlext/CMakeLists.txt

@@ -1,29 +1,8 @@
-set(pybind11_MODULE_NAME "dlpack_extension")
+add_subdirectory(src)
 
-pybind11_add_module(${pybind11_MODULE_NAME} MODULE "")
+target_include_directories(${PROJECT_NAME} PUBLIC include)
 
-target_compile_features(${pybind11_MODULE_NAME} PRIVATE cxx_std_11)
-target_link_libraries(${pybind11_MODULE_NAME} PRIVATE ${HOOMD_LIBRARIES} dlpack::dlpack)
-target_sources(${pybind11_MODULE_NAME} PRIVATE PyDLExt.cc Sampler.cc SystemView.cc)
-
-# if we are compiling with MPI support built in, set appropriate
-# compiler/linker flags
-if(ENABLE_MPI)
-   if(MPI_COMPILE_FLAGS)
-       set_target_properties(
-           ${pybind11_MODULE_NAME} PROPERTIES COMPILE_FLAGS "${MPI_CXX_COMPILE_FLAGS}"
-        )
-   endif()
-   if(MPI_LINK_FLAGS)
-       set_target_properties(
-           ${pybind11_MODULE_NAME} PROPERTIES LINK_FLAGS "${MPI_CXX_LINK_FLAGS}"
-        )
-   endif()
-endif()
-
-fix_cudart_rpath(${pybind11_MODULE_NAME})
-
-# install the library
-install(TARGETS ${pybind11_MODULE_NAME}
-    DESTINATION "${CMAKE_INSTALL_PREFIX}/${PROJECT_NAME}"
+install(DIRECTORY include/
+    DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}/hoomd/${PROJECT_NAME}"
+    FILES_MATCHING PATTERN "*.h"
 )

Diff for: dlext/DLExt.h renamed to dlext/include/DLExt.h

@@ -14,8 +14,6 @@ namespace dlext
 {
 
 
-using namespace sysview;
-
 using DLManagedTensorPtr = DLManagedTensor*;
 
 using AccessLocation = access_location::Enum;
@@ -231,7 +229,7 @@ inline DLManagedTensorPtr net_virial(
 }
 
 
-} // namespace dlext
+}  // namespace dlext
 
 
-#endif // HOOMD_DLPACK_EXTENSION_H_
+#endif  // HOOMD_DLPACK_EXTENSION_H_

Diff for: dlext/SystemView.h renamed to dlext/include/SystemView.h

@@ -8,14 +8,14 @@
 #include <memory>
 #include <type_traits>
 
-#include "utils.h"
+#include "cxx11utils.h"
 
 #include "hoomd/ExecutionConfiguration.h"
 #include "hoomd/GlobalArray.h"
 #include "hoomd/SystemDefinition.h"
 
 
-namespace sysview
+namespace dlext
 {
 
 
@@ -41,7 +41,7 @@ class DEFAULT_VISIBILITY SystemView {
 };
 
 
-} // namespace sysview
+}  // namespace dlext
 
 
-#endif // HOOMD_SYSVIEW_H_
+#endif  // HOOMD_SYSVIEW_H_

Diff for: dlext/src/CMakeLists.txt

@@ -0,0 +1,3 @@
+target_sources(${PROJECT_NAME}
+    PRIVATE SystemView.cc
+)

Diff for: dlext/SystemView.cc renamed to dlext/src/SystemView.cc

@@ -2,11 +2,11 @@
 // This file is part of `hoomd-dlext`, see LICENSE.md
 
 #include "SystemView.h"
-#include "utils.h"
+#include "cxx11utils.h"
 
 
-using namespace sysview;
-using namespace utils;
+using namespace dlext;
+using namespace cxx11utils;
 
 
 SystemView::SystemView(SystemDefinitionSPtr sysdef)

Diff for: dlext/utils.h renamed to include/cxx11utils.h

@@ -1,8 +1,8 @@
 // SPDX-License-Identifier: MIT
 // This file is part of `hoomd-dlext`, see LICENSE.md
 
-#ifndef UTILS_H_
-#define UTILS_H_
+#ifndef CXX11_UTILS_H_
+#define CXX11_UTILS_H_
 
 
 #if !defined(DEFAULT_VISIBILITY)
@@ -16,27 +16,15 @@
 #define INVOKE(object, member_ptr) ((object).*(member_ptr))
 
 
-//#include <vector>
-
-
-namespace utils
+namespace cxx11utils
 {
 
 
 template <typename T>
 constexpr void maybe_unused(T&&) { }
 
-//template<typename F, typename T>
-//void flatten_iterate(F f, const std::vector< std::vector<T> >& outter) {
-//    for (const auto& inner : outter) {
-//        for (const auto& value : inner) {
-//            f(value);
-//        }
-//    }
-//}
-
 
-} // namespace utils
+}  // namespace cxx11utils
 
 
-#endif // UTILS_H_
+#endif  // CXX11_UTILS_H_

Diff for: python/CMakeLists.txt

@@ -1,3 +1,33 @@
+set(pybind11_MODULE_NAME "dlpack_extension")
+
+pybind11_add_module(${pybind11_MODULE_NAME} MODULE "")
+
+target_compile_features(${pybind11_MODULE_NAME} PRIVATE cxx_std_11)
+target_link_libraries(${pybind11_MODULE_NAME} PRIVATE ${PROJECT_NAME})
+target_sources(${pybind11_MODULE_NAME} PRIVATE PyDLExt.cc Sampler.cc)
+
+# if we are compiling with MPI support built in, set appropriate
+# compiler/linker flags
+if(ENABLE_MPI)
+   if(MPI_COMPILE_FLAGS)
+       set_target_properties(
+           ${pybind11_MODULE_NAME} PROPERTIES COMPILE_FLAGS "${MPI_CXX_COMPILE_FLAGS}"
+        )
+   endif()
+   if(MPI_LINK_FLAGS)
+       set_target_properties(
+           ${pybind11_MODULE_NAME} PROPERTIES LINK_FLAGS "${MPI_CXX_LINK_FLAGS}"
+        )
+   endif()
+endif()
+
+fix_cudart_rpath(${pybind11_MODULE_NAME})
+
+# Install the library
+install(TARGETS ${pybind11_MODULE_NAME}
+    DESTINATION "${CMAKE_INSTALL_PREFIX}/${PROJECT_NAME}"
+)
+
 install(DIRECTORY ${PROJECT_NAME}
     DESTINATION ${CMAKE_INSTALL_PREFIX}
 )

Diff for: dlext/PyDLExt.cc renamed to python/PyDLExt.cc

@@ -6,7 +6,6 @@
 #include "Sampler.h"
 
 
-using namespace sysview;
 using namespace dlext;
 namespace py = pybind11;
 

Diff for: dlext/PyDLExt.h renamed to python/PyDLExt.h

@@ -13,7 +13,6 @@
 namespace dlext
 {
 
-using namespace sysview;
 
 using PropertyExtractor =
     DLManagedTensorPtr (*)(const SystemView&, AccessLocation, AccessMode)