WIP

CMakeLists.txt

@@ -2,45 +2,49 @@
 set (DFT_TOOLS_VERSION "1.5")
 set (DFT_TOOLS_RELEASE "1.5.0")
 
-# Append triqs installed files to the cmake load path
+# Default to Release build type
-list(APPEND CMAKE_MODULE_PATH ${TRIQS_PATH}/share/triqs/cmake)
+if(NOT CMAKE_BUILD_TYPE)
+  set(CMAKE_BUILD_TYPE Release CACHE STRING "Type of build" FORCE)
+endif()
+message( STATUS "-------- BUILD-TYPE: ${CMAKE_BUILD_TYPE} -------------")
 
 # start configuration
 cmake_minimum_required(VERSION 2.8)
 project(dft_tools CXX Fortran)
-set(CMAKE_BUILD_TYPE Release)
-enable_testing()
 
-# Load TRIQS, including all predefined variables from TRIQS installation
+# Use shared libraries
-find_package(TRIQS REQUIRED)
+set(BUILD_SHARED_LIBS ON)
+
+# Load TRIQS and Cpp2Py
+find_package(TRIQS 1.5 EXACT REQUIRED)
+find_package(Cpp2Py REQUIRED)
 
-# Check that versions are compatible
-if(NOT DFT_TOOLS_VERSION EQUAL TRIQS_VERSION)
-  message(FATAL_ERROR "The application version is not compatible with the TRIQS library (TRIQS library version: ${TRIQS_VERSION} while this application version: ${DFT_TOOLS_VERSION})")
-endif()
 if (NOT ${TRIQS_WITH_PYTHON_SUPPORT})
  MESSAGE(FATAL_ERROR "dft_tools require Python support in TRIQS")
 endif()
 
-# Get hash
+# Default Install directory to TRIQS_ROOT if not given. Checks an absolute name is given.
-triqs_get_git_hash(${CMAKE_SOURCE_DIR} "DFT_TOOLS")
+if(CMAKE_INSTALL_PREFIX_INITIALIZED_TO_DEFAULT OR (NOT IS_ABSOLUTE ${CMAKE_INSTALL_PREFIX}))
-if(${GIT_RESULT} EQUAL 0)
+  message(STATUS " No install prefix given (or invalid). Defaulting to TRIQS_ROOT")
-  message(STATUS "Hash: ${DFT_TOOLS_GIT_HASH}")
+  set(CMAKE_INSTALL_PREFIX ${TRIQS_ROOT} CACHE PATH "default install path" FORCE)
-endif(${GIT_RESULT} EQUAL 0)
+endif()
+message(STATUS "-------- CMAKE_INSTALL_PREFIX: ${CMAKE_INSTALL_PREFIX} -------------")
 
-# We want to be installed in the TRIQS tree
+# Macro defined in TRIQS which picks the hash of repo.
-set(CMAKE_INSTALL_PREFIX ${TRIQS_PATH})
+triqs_get_git_hash_of_source_dir(DFT_TOOLS_GIT_HASH)
+message(STATUS "Git hash: ${DFT_TOOLS_GIT_HASH}")
 
 add_subdirectory(fortran/dmftproj) 
 
 # Add the compiling options (-D... ) for C++
 message(STATUS "TRIQS : Adding compilation flags detected by the library (C++11/14, libc++, etc...) ")
-add_definitions(${TRIQS_CXX_DEFINITIONS})
 
 add_subdirectory(c++)
 add_subdirectory(python)
 add_subdirectory(shells)
 add_subdirectory(test)
+
+
 option(BUILD_DOC "Build documentation" OFF)
 if(${BUILD_DOC})
   if(NOT TRIQS_WITH_DOCUMENTATION)

c++/plovasp/atm/CMakeLists.txt

@@ -1,7 +1,6 @@
-# Linking and include info
 add_library(atm_c dos_tetra3d.hpp dos_tetra3d.cpp argsort.hpp argsort.cpp)
-set_target_properties(atm_c PROPERTIES LINKER_LANGUAGE CXX)
+target_link_libraries(atm_c triqs)
-include_directories(${CMAKE_CURRENT_SOURCE_DIR}/c++/plovasp/atm ${TRIQS_INCLUDE_ALL})
+target_compile_options(atm_c PRIVATE -std=c++14)
 
 install(TARGETS atm_c DESTINATION lib)
 

c++/plovasp/atm/test/CMakeLists.txt

@@ -1,24 +1,13 @@
-find_package(TriqsTest)
 enable_testing()
 
-# Linking and include info
-#add_library(atm_c dos_tetra3d.hpp dos_tetra3d.cpp argsort.h argsort.c)
-#set_target_properties(atm_c PROPERTIES LINKER_LANGUAGE CXX)
-#include_directories(${CMAKE_CURRENT_SOURCE_DIR}/c++/plovasp/atm ${TRIQS_INCLUDE_ALL})
-
 FILE(GLOB TestList RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.cpp)
 FOREACH( TestName1  ${TestList} )
  STRING(REPLACE ".cpp" "" TestName ${TestName1})
- add_executable( ${TestName}  ${CMAKE_CURRENT_SOURCE_DIR}/${TestName}.cpp )
+ add_executable( ${TestName}  ${TestName}.cpp )
- target_link_libraries( ${TestName} atm_c ${TRIQS_LIBRARY_ALL} )
+ target_link_libraries( ${TestName} atm_c triqs)
  triqs_set_rpath_for_target( ${TestName} )
- triqs_add_cpp_test( ${TestName} )
+ add_test(NAME ${TestName} COMMAND ${CMAKE_CURRENT_BINARY_DIR}/${t})
- if (TESTS_C_WITH_VALGRIND)
-  add_test ( ${TestName}_valgrind valgrind --error-exitcode=1 ${CMAKE_CURRENT_BINARY_DIR}/${TestName})
- endif()
 ENDFOREACH( TestName1  ${TestList} )
 
-#add_executable(test_atm test2py.cpp)
-#target_link_libraries(test_atm atm_c)
 
-#add_subdirectory(test)
+

fortran/dmftproj/CMakeLists.txt

@@ -6,7 +6,7 @@ set(SOURCES modules.f dmftproj.f readcomline.f set_ang_trans.f setsym.f
 
 # The main target and what to link with...
 add_executable(dmftproj ${SOURCES})
-target_link_libraries(dmftproj ${TRIQS_LIBRARY_LAPACK})
+target_link_libraries(dmftproj "-framework Accelerate") #${TRIQS_LIBRARY_LAPACK})
 
 # where to install
 install (TARGETS dmftproj DESTINATION bin)

python/CMakeLists.txt

@@ -1,16 +1,18 @@
 # where will the python end up in triqs?
 set(python_destination pytriqs/applications/dft)
+set(PYTHON_LIB_DEST ${CPP2PY_PYTHON_LIB_DEST_ROOT}/pytriqs/cthyb)
 
 # site_customize for build
 set(package_name "pytriqs.applications")
 configure_file(${CMAKE_SOURCE_DIR}/cmake/sitecustomize.py ${CMAKE_CURRENT_BINARY_DIR}/sitecustomize.py @ONLY)
 
-# make a local pytriqs copy
-triqs_prepare_local_pytriqs(${python_destination})
-
 # VASP converter
 add_subdirectory(converters/plovasp)
 
 # add version file
-configure_file(version.py.in version.py)
+configure_file(version.py.in version.py @ONLY)
-install(FILES ${CMAKE_CURRENT_BINARY_DIR}/version.py DESTINATION ${TRIQS_PYTHON_LIB_DEST_ROOT}/${python_destination})
+install(FILES ${CMAKE_CURRENT_BINARY_DIR}/version.py DESTINATION ${PYTHON_LIB_DEST})
+
+
+
+

python/converters/plovasp/CMakeLists.txt

@@ -1,11 +1,13 @@
 set(python_destination pytriqs/applications/dft/converters/plovasp)
 
-include_directories(${CMAKE_CURRENT_SOURCE_DIR} ${TRIQS_INCLUDE_ALL})
+add_cpp2py_module(atm)
-triqs_python_extension(atm ${python_destination})
+target_link_libraries(atm atm_c triqs)
-target_link_libraries(atm atm_c ${TRIQS_LIBRARY_ALL})
+#triqs_set_rpath_for_target(atm)
-triqs_set_rpath_for_target(atm)
+target_compile_options(atm PRIVATE -std=c++14)
 
 # This we need in order for tests to work
-add_custom_command(TARGET atm POST_BUILD COMMAND ln -fs ${CMAKE_CURRENT_BINARY_DIR}/${CMAKE_PROJECT_NAME}/atm.so ${CMAKE_BINARY_DIR}/python/dft/converters/plovasp)
+#add_custom_command(TARGET atm POST_BUILD COMMAND ln -fs ${CMAKE_CURRENT_BINARY_DIR}/${CMAKE_PROJECT_NAME}/atm.so ${CMAKE_BINARY_DIR}/python/dft/converters/plovasp)
+
+install (TARGETS atm DESTINATION ${PYTHON_LIB_DEST})
+
 
-install (TARGETS atm DESTINATION ${TRIQS_PYTHON_LIB_DEST_ROOT}/${python_destination})

python/converters/plovasp/atm_desc.py

@@ -1,6 +1,6 @@
 # Generated automatically using the command :
 # c++2py.py -m atm -o atm --moduledoc "Analytical Tetrahedron Method for DOS" ../../../c++/plovasp/atm/dos_tetra3d.hpp
-from wrap_generator import *
+from cpp2py.wrap_generator import *
 
 # The module
 module = module_(full_name = "atm", doc = "Analytical Tetrahedron Method for calculating DOS", app_name = "atm")

test/CMakeLists.txt

@@ -1,20 +1,19 @@
-# load triqs helper to set up tests
-find_package(TriqsTest)
-
 # Copy h5 files to binary dir
 FILE(GLOB all_h5_files RELATIVE ${CMAKE_CURRENT_SOURCE_DIR} *.h5)
 file(COPY ${CMAKE_CURRENT_SOURCE_DIR}/${all_h5_files} DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
 # Copy other files
 FILE(COPY SrVO3.pmat SrVO3.struct SrVO3.outputs SrVO3.oubwin SrVO3.ctqmcout SrVO3.symqmc SrVO3.sympar SrVO3.parproj hk_convert_hamiltonian.hk LaVO3-Pnma_hr.dat LaVO3-Pnma.inp DESTINATION ${CMAKE_CURRENT_BINARY_DIR})
 
-triqs_add_python_test(wien2k_convert)
+# List all tests
-triqs_add_python_test(hk_convert)
+set(all_tests wien2k_convert hk_convert w90_convert sumkdft_basic srvo3_Gloc srvo3_transp sigma_from_file blockstructure)
-triqs_add_python_test(w90_convert)
+
-triqs_add_python_test(sumkdft_basic)
+foreach(t ${all_tests})
-triqs_add_python_test(srvo3_Gloc)
+  add_test(NAME ${t} COMMAND python ${CMAKE_CURRENT_SOURCE_DIR}/${t}.py)
-triqs_add_python_test(srvo3_transp)
+endforeach()
-triqs_add_python_test(sigma_from_file)
+
-triqs_add_python_test(blockstructure)
+# Set the PythonPath : put the build dir first (in case there is an installed version). 
+set_property(TEST ${all_tests} PROPERTY ENVIRONMENT PYTHONPATH=${CMAKE_BINARY_DIR}/python:$ENV{PYTHONPATH} )
+
 
 # VASP converter tests
 add_subdirectory(plovasp)