Commit ed46b194 authored by Elisa Rebolini's avatar Elisa Rebolini
Browse files

Merge branch 'init-branch' into 'master'

Initial commit to the LGPL repository

See merge request !1
parents 37192f94 087b261a
Pipeline #10219 passed with stage
in 24 minutes and 4 seconds
stages:
- build
ifort (debug):
stage: build
script:
- ./configure build --intel --build-type Debug
- cd build
- make -j8
- ctest -VV
tags:
- ubuntu
artifacts:
when: on_failure
expire_in: 1 week
paths:
- build/Testing/Temporary/LastTest.log
ifort (release):
only:
refs:
- schedules
stage: build
script:
- ./configure build --intel --build-type Release
- cd build
- make
- ctest -VV
tags:
- ubuntu
artifacts:
expire_in: 1 week
when: on_failure
paths:
- build/Testing/Temporary/LastTest.log
ifort-omp (debug):
# only:
# refs:
# - schedules
stage: build
script:
- ./configure build --intel --omp --build-type Debug
- cd build
- make -j8
- ctest -VV
tags:
- ubuntu
artifacts:
expire_in: 1 week
when: on_failure
paths:
- build/Testing/Temporary/LastTest.log
gnu (debug):
stage: build
script:
- ./configure build --gnu --build-type Debug
- cd build
- make -j8
- ctest -VV
tags:
- ubuntu
artifacts:
expire_in: 1 week
when: on_failure
paths:
- build/Testing/Temporary/LastTest.log
gnu-hybrid (debug):
stage: build
script:
- ./configure build --gnu --mpi --omp --build-type Debug
- cd build
- make -j8
- ctest -VV
tags:
- ubuntu
artifacts:
expire_in: 1 week
when: on_failure
paths:
- build/Testing/Temporary/LastTest.log
gnu (release):
only:
refs:
- schedules
stage: build
script:
- ./configure build --gnu --build-type Release
- cd build
- make
- ctest -VV
tags:
- ubuntu
artifacts:
expire_in: 1 week
when: on_failure
paths:
- build/Testing/Temporary/LastTest.log
# Cmake Project file for RelaxSE
cmake_minimum_required(VERSION 3.0)
project (RelaxSE)
# these are paths that CMake will search for cmake
# module files that end with .cmake
list(APPEND CMAKE_MODULE_PATH ${CMAKE_SOURCE_DIR}/cmake)
enable_language (Fortran)
find_package( LAPACK REQUIRED )
find_package( BLAS REQUIRED )
# make sure that the default is a RELEASE
if (NOT CMAKE_BUILD_TYPE)
set (CMAKE_BUILD_TYPE RELEASE CACHE STRING
"Choose the type of build, options are: None Debug Release Opt Profiling."
FORCE)
endif (NOT CMAKE_BUILD_TYPE)
if (CMAKE_BUILD_TYPE MATCHES Debug)
message ("Debug build ")
add_definitions(-DVAR_DEBUG)
elseif (CMAKE_BUILD_TYPE MATCHES Check)
message ("Debug build with extra checks")
add_definitions(-DVAR_DEBUG)
else()
message ("Build type " ${CMAKE_BUILD_TYPE})
endif ()
if(ENABLE_NOGEN)
message ("Naive (non-generated) implementation -- only for test purposes")
add_definitions(-DVAR_NOGEN)
endif()
# default installation
get_filename_component (default_prefix ".." ABSOLUTE)
set (CMAKE_INSTALL_PREFIX ${default_prefix} CACHE STRING
"Choose the installation directoryy."
FORCE)
# FFLAGS depend on the compiler
get_filename_component (Fortran_COMPILER_NAME ${CMAKE_Fortran_COMPILER} NAME)
if (CMAKE_Fortran_COMPILER_ID MATCHES GNU)
# gfortran
set (CMAKE_Fortran_FLAGS_OPT "-funroll-all-loops -fno-f2c -O3")
set (CMAKE_Fortran_FLAGS_RELEASE "-O2")
set (CMAKE_Fortran_FLAGS_DEBUG "-fno-f2c -O0 -g -fbacktrace ")
set (CMAKE_Fortran_FLAGS_CHECK "${CMAKE_Fortran_FLAGS_DEBUG} -Wall -Wextra -Warray-temporaries -Wconversion -Wrealloc-lhs -ffree-line-length-0 -fcheck=all -ffpe-trap=zero,overflow,underflow -finit-real=nan") #-fimplicit-none
set(CMAKE_Fortran_FLAGS_PROFILE "${CMAKE_Fortran_FLAGS_RELEASE} -g -pg")
if(ENABLE_STATIC_LINKING)
set(CMAKE_Fortran_FLAGS
"${CMAKE_Fortran_FLAGS} -static"
)
endif()
add_definitions(-DVAR_GNU)
if(ENABLE_OMP)
add_definitions(-DVAR_OMP)
set(CMAKE_Fortran_FLAGS
"${CMAKE_Fortran_FLAGS} -fopenmp"
)
endif()
if (CMAKE_Fortran_COMPILER_VERSION VERSION_GREATER 10)
set(CMAKE_Fortran_FLAGS
"${CMAKE_Fortran_FLAGS} -fallow-argument-mismatch"
)
endif()
elseif (CMAKE_Fortran_COMPILER_ID MATCHES Intel)
# ifort
set (CMAKE_Fortran_FLAGS_OPT "-O3")
set (CMAKE_Fortran_FLAGS_RELEASE "-O2")
set (CMAKE_Fortran_FLAGS_DEBUG "-O0 -g -traceback")
set (CMAKE_Fortran_FLAGS_CHECK "${CMAKE_Fortran_FLAGS_DEBUG} -check all -check arg_temp_created")
set (CMAKE_SHARED_LIBRARY_LINK_Fortran_FLAGS "-shared-intel")
add_definitions(-DVAR_INTEL)
if(ENABLE_OMP)
add_definitions(-DVAR_OMP)
if(NOT CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 18)
set(CMAKE_Fortran_FLAGS
"${CMAKE_Fortran_FLAGS} -qopenmp -qoverride-limits" #-threadprivate:compat
)
else()
set(CMAKE_Fortran_FLAGS
"${CMAKE_Fortran_FLAGS} -fopenmp"
)
endif()
endif()
endif ()
if(ENABLE_MPI)
find_package(MPI)
if(MPI_Fortran_FOUND)
add_definitions(-DVAR_MPI)
else()
message(FATAL_ERROR "-- You asked for MPI, but CMake could not find any MPI installation, check $PATH")
endif()
endif()
include(RelaxSE_Sources)
# Common Libraries
add_library(RelaxSE_common
${RELAXSE_COMMON})
if(MPI_Fortran_FOUND)
target_include_directories(RelaxSE_common PRIVATE
${MPI_Fortran_INCLUDE_PATH})
target_link_libraries(RelaxSE_common
${MPI_Fortran_LIBRARIES}
)
endif()
add_library(RelaxSE_IO
${RELAXSE_SOURCES_IO})
add_dependencies(RelaxSE_IO RelaxSE_common)
add_library(RelaxSE_type
${RELAXSE_SOURCES_TYPE})
add_dependencies(RelaxSE_type RelaxSE_IO)
add_dependencies(RelaxSE_type RelaxSE_common)
#Generated or non-generated Code
if(ENABLE_NOGEN)
add_library(RelaxSE_lib
${RELAXSE_SOURCES}
${RELAXSE_generator_SOURCES})
else ()
add_library(RelaxSE_fockgen
${RELAXSE_fockgen_SOURCES})
add_dependencies(RelaxSE_fockgen RelaxSE_IO)
add_dependencies(RelaxSE_fockgen RelaxSE_common)
add_dependencies(RelaxSE_fockgen RelaxSE_type)
add_library(RelaxSE_intgen
${RELAXSE_intgen_SOURCES})
add_dependencies(RelaxSE_intgen RelaxSE_IO)
add_dependencies(RelaxSE_intgen RelaxSE_common)
add_dependencies(RelaxSE_intgen RelaxSE_type)
add_library(RelaxSE_lib
${RELAXSE_SOURCES}
${RELAXSE_gen_SOURCES})
add_dependencies(RelaxSE_lib RelaxSE_fockgen)
add_dependencies(RelaxSE_lib RelaxSE_intgen)
endif()
add_dependencies(RelaxSE_lib RelaxSE_type)
add_dependencies(RelaxSE_lib RelaxSE_IO)
add_dependencies(RelaxSE_lib RelaxSE_common)
add_library(RelaxSE_prop
${RELAXSE_SOURCES_prop})
add_dependencies(RelaxSE_prop RelaxSE_type)
add_dependencies(RelaxSE_prop RelaxSE_IO)
add_dependencies(RelaxSE_prop RelaxSE_common)
add_dependencies(RelaxSE_prop RelaxSE_lib)
if(MPI_Fortran_FOUND)
target_include_directories(RelaxSE_lib PRIVATE
${MPI_Fortran_INCLUDE_PATH})
target_link_libraries(RelaxSE_lib
${MPI_Fortran_LIBRARIES}
)
endif()
#Executables
if(ENABLE_NOGEN)
### Code generator for the diagonal part
add_executable(hdiag.x src/generator/code_gener_hdiag.F90)
target_link_libraries(hdiag.x
RelaxSE_lib
RelaxSE_type
RelaxSE_IO
RelaxSE_common
${LAPACK_LIBRARIES}
${BLAS_LIBRARIES}
)
### Code generator for the off-diagonal part
add_executable(hvblock.x src/generator/code_gener_hv_blocs.F90)
target_link_libraries(hvblock.x
RelaxSE_lib
RelaxSE_type
RelaxSE_IO
RelaxSE_common
${LAPACK_LIBRARIES}
${BLAS_LIBRARIES}
)
execute_process(COMMAND cp -r ${CMAKE_SOURCE_DIR}/src/generator/update_gencode.sh ${CMAKE_BINARY_DIR}/)
### SASS program
add_executable(relaxse.x src/RelaxSE.F90)
target_link_libraries(relaxse.x
RelaxSE_lib
RelaxSE_type
RelaxSE_IO
RelaxSE_common
${LAPACK_LIBRARIES}
${BLAS_LIBRARIES}
)
else()
### SASS program
add_executable(relaxse.x src/RelaxSE.F90)
target_link_libraries(relaxse.x
RelaxSE_lib
RelaxSE_type
RelaxSE_IO
RelaxSE_common
RelaxSE_fockgen
RelaxSE_intgen
${LAPACK_LIBRARIES}
${BLAS_LIBRARIES}
)
endif()
### Code for properties calculations
add_executable(prop.x src/prop.F90)
target_link_libraries(prop.x
RelaxSE_lib
RelaxSE_prop
RelaxSE_type
RelaxSE_IO
RelaxSE_common
${LAPACK_LIBRARIES}
${BLAS_LIBRARIES}
)
### Unitests
enable_testing()
include(Test_Sources)
# copy test scripts to build/test
execute_process(COMMAND mkdir -p ${CMAKE_BINARY_DIR}/test)
execute_process(COMMAND cp -r ${CMAKE_SOURCE_DIR}/test/runtest ${CMAKE_BINARY_DIR}/test)
execute_process(COMMAND cp ${CMAKE_SOURCE_DIR}/test/runtest_config.py ${CMAKE_BINARY_DIR}/test)
execute_process(COMMAND cp ${CMAKE_SOURCE_DIR}/test/runtest_relaxse.py ${CMAKE_BINARY_DIR}/test)
execute_process(COMMAND cp ${CMAKE_SOURCE_DIR}/test/runtest_v1.py ${CMAKE_BINARY_DIR}/test)
include(TestsRelaxSE)
include(CTest)
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