Commit 9988ccaf authored by Stefan Paquay's avatar Stefan Paquay
Browse files

Merge branch 'master' of https://www.github.com/lammps/lammps

parents d3b2a225 c00f2adb

cmake/CMakeLists.txt

+151 −1052

File changed.

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cmake/Modules/CodeCoverage.cmake

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###############################################################################

# Coverage

#

# Requires latest gcovr (for GCC 8.1 support):#

# pip install git+https://github.com/gcovr/gcovr.git

###############################################################################

if(ENABLE_COVERAGE)

    find_program(GCOVR_BINARY gcovr)

    find_package_handle_standard_args(GCOVR DEFAULT_MSG GCOVR_BINARY)



    if(GCOVR_FOUND)

        get_filename_component(ABSOLUTE_LAMMPS_SOURCE_DIR ${LAMMPS_SOURCE_DIR} ABSOLUTE)



        add_custom_target(

            gen_coverage_xml

            COMMAND ${GCOVR_BINARY} -s -x -r ${ABSOLUTE_LAMMPS_SOURCE_DIR} --object-directory=${CMAKE_BINARY_DIR} -o coverage.xml

            WORKING_DIRECTORY ${CMAKE_BINARY_DIR}

            COMMENT "Generating XML Coverage Report..."

        )



        add_custom_target(

            gen_coverage_html

            COMMAND ${GCOVR_BINARY} -s  --html --html-details -r ${ABSOLUTE_LAMMPS_SOURCE_DIR} --object-directory=${CMAKE_BINARY_DIR} -o coverage.html

            WORKING_DIRECTORY ${CMAKE_BINARY_DIR}

            COMMENT "Generating HTML Coverage Report..."

        )

    endif()

endif()

cmake/Modules/Documentation.cmake

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+59 −0
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###############################################################################

# Build documentation

###############################################################################

option(BUILD_DOC "Build LAMMPS documentation" OFF)

if(BUILD_DOC)

  include(ProcessorCount)

  ProcessorCount(NPROCS)

  find_package(PythonInterp 3 REQUIRED)



  set(VIRTUALENV ${PYTHON_EXECUTABLE} -m virtualenv)



  file(GLOB DOC_SOURCES ${LAMMPS_DOC_DIR}/src/[^.]*.txt)

  file(GLOB PDF_EXTRA_SOURCES ${LAMMPS_DOC_DIR}/src/lammps_commands*.txt ${LAMMPS_DOC_DIR}/src/lammps_support.txt ${LAMMPS_DOC_DIR}/src/lammps_tutorials.txt)

  list(REMOVE_ITEM DOC_SOURCES ${PDF_EXTRA_SOURCES})



  add_custom_command(

    OUTPUT docenv

    COMMAND ${VIRTUALENV} docenv

  )



  set(DOCENV_BINARY_DIR ${CMAKE_BINARY_DIR}/docenv/bin)



  add_custom_command(

    OUTPUT requirements.txt

    DEPENDS docenv

    COMMAND ${CMAKE_COMMAND} -E copy ${LAMMPS_DOC_DIR}/utils/requirements.txt requirements.txt

    COMMAND ${DOCENV_BINARY_DIR}/pip install -r requirements.txt --upgrade

    COMMAND ${DOCENV_BINARY_DIR}/pip install --upgrade ${LAMMPS_DOC_DIR}/utils/converters

  )



  set(RST_FILES "")

  set(RST_DIR ${CMAKE_BINARY_DIR}/rst)

  file(MAKE_DIRECTORY ${RST_DIR})

  foreach(TXT_FILE ${DOC_SOURCES})

    get_filename_component(FILENAME ${TXT_FILE} NAME_WE)

    set(RST_FILE ${RST_DIR}/${FILENAME}.rst)

    list(APPEND RST_FILES ${RST_FILE})

    add_custom_command(

      OUTPUT ${RST_FILE}

      DEPENDS requirements.txt docenv ${TXT_FILE}

      COMMAND ${DOCENV_BINARY_DIR}/txt2rst -o ${RST_DIR} ${TXT_FILE}

    )

  endforeach()



  add_custom_command(

    OUTPUT html

    DEPENDS ${RST_FILES}

    COMMAND ${CMAKE_COMMAND} -E copy_directory ${LAMMPS_DOC_DIR}/src ${RST_DIR}

    COMMAND ${DOCENV_BINARY_DIR}/sphinx-build -j ${NPROCS} -b html -c ${LAMMPS_DOC_DIR}/utils/sphinx-config -d ${CMAKE_BINARY_DIR}/doctrees ${RST_DIR} html

  )



  add_custom_target(

    doc ALL

    DEPENDS html

    SOURCES ${LAMMPS_DOC_DIR}/utils/requirements.txt ${DOC_SOURCES}

  )



  install(DIRECTORY ${CMAKE_BINARY_DIR}/html DESTINATION ${CMAKE_INSTALL_DOCDIR})

endif()

cmake/Modules/FindKIM-API-V2.cmake→cmake/Modules/FindKIM-API.cmake

+21 −12
Original line number Diff line number Diff line
@@ -19,7 +19,7 @@ 
#



#

# Copyright (c) 2013--2018, Regents of the University of Minnesota.

# Copyright (c) 2013--2019, Regents of the University of Minnesota.

# All rights reserved.

#

# Contributors:
@@ -28,23 +28,32 @@ 
#    Ryan S. Elliott

#



# - Find KIM-API-V2

# - Find KIM-API

#

# sets standard pkg_check_modules variables plus:

#

# KIM-API-V2-CMAKE_C_COMPILER

# KIM-API-V2-CMAKE_CXX_COMPILER

# KIM-API-V2-CMAKE_Fortran_COMPILER

# KIM-API-CMAKE_C_COMPILER

# KIM-API-CMAKE_CXX_COMPILER

# KIM-API-CMAKE_Fortran_COMPILER

#

find_package(PkgConfig REQUIRED)



if(KIM-API_FIND_QUIETLY)

  set(REQ_OR_QUI "QUIET")

else()

  set(REQ_OR_QUI "REQUIRED")

endif()



find_package(PkgConfig ${REQ_OR_QUI})

include(FindPackageHandleStandardArgs)



pkg_check_modules(KIM-API-V2 REQUIRED libkim-api-v2>=2.0)

pkg_check_modules(KIM-API ${REQ_OR_QUI} libkim-api>=2.0)



pkg_get_variable(KIM-API-V2-CMAKE_C_COMPILER libkim-api-v2 CMAKE_C_COMPILER)

pkg_get_variable(KIM-API-V2-CMAKE_CXX_COMPILER libkim-api-v2 CMAKE_CXX_COMPILER)

pkg_get_variable(KIM-API-V2_CMAKE_Fortran_COMPILER libkim-api-v2 CMAKE_Fortran_COMPILER)

if(KIM-API_FOUND)

  pkg_get_variable(KIM-API-CMAKE_C_COMPILER libkim-api CMAKE_C_COMPILER)

  pkg_get_variable(KIM-API-CMAKE_CXX_COMPILER libkim-api CMAKE_CXX_COMPILER)

  pkg_get_variable(KIM-API_CMAKE_Fortran_COMPILER libkim-api CMAKE_Fortran_COMPILER)

endif()



# handle the QUIETLY and REQUIRED arguments and set KIM-API-V2_FOUND to TRUE

# handle the QUIETLY and REQUIRED arguments and set KIM-API_FOUND to TRUE

# if all listed variables are TRUE

find_package_handle_standard_args(KIM-API-V2 REQUIRED_VARS KIM-API-V2_LIBRARIES)
 
find_package_handle_standard_args(KIM-API REQUIRED_VARS KIM-API_LIBRARIES)

cmake/Modules/LAMMPSUtils.cmake

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# Utility functions

function(list_to_bulletpoints result)

    list(REMOVE_AT ARGV 0)

    set(temp "")

    foreach(item ${ARGV})

        set(temp "${temp}* ${item}\n")

    endforeach()

    set(${result} "${temp}" PARENT_SCOPE)

endfunction(list_to_bulletpoints)



function(validate_option name values)

    string(TOLOWER ${${name}} needle_lower)

    string(TOUPPER ${${name}} needle_upper)

    list(FIND ${values} ${needle_lower} IDX_LOWER)

    list(FIND ${values} ${needle_upper} IDX_UPPER)

    if(${IDX_LOWER} LESS 0 AND ${IDX_UPPER} LESS 0)

        list_to_bulletpoints(POSSIBLE_VALUE_LIST ${${values}})

        message(FATAL_ERROR "\n########################################################################\n"

                            "Invalid value '${${name}}' for option ${name}\n"

                            "\n"

                            "Possible values are:\n"

                            "${POSSIBLE_VALUE_LIST}"

                            "########################################################################")

    endif()

endfunction(validate_option)



function(get_lammps_version version_header variable)

    file(READ ${version_header} line)

    set(MONTHS x Jan Feb Mar Apr May Jun Jul Aug Sep Oct Nov Dec)

    string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\1" day "${line}")

    string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\2" month "${line}")

    string(REGEX REPLACE "#define LAMMPS_VERSION \"([0-9]+) ([A-Za-z]+) ([0-9]+)\"" "\\3" year "${line}")

    string(STRIP ${day} day)

    string(STRIP ${month} month)

    string(STRIP ${year} year)

    list(FIND MONTHS "${month}" month)

    string(LENGTH ${day} day_length)

    string(LENGTH ${month} month_length)

    if(day_length EQUAL 1)

        set(day "0${day}")

    endif()

    if(month_length EQUAL 1)

        set(month "0${month}")

    endif()

    set(${variable} "${year}${month}${day}" PARENT_SCOPE)

endfunction()



function(check_for_autogen_files source_dir)

    message(STATUS "Running check for auto-generated files from make-based build system")

    file(GLOB SRC_AUTOGEN_FILES ${source_dir}/style_*.h)

    file(GLOB SRC_AUTOGEN_PACKAGES ${source_dir}/packages_*.h)

    list(APPEND SRC_AUTOGEN_FILES ${SRC_AUTOGEN_PACKAGES} ${source_dir}/lmpinstalledpkgs.h ${source_dir}/lmpgitversion.h)

    foreach(_SRC ${SRC_AUTOGEN_FILES})

      get_filename_component(FILENAME "${_SRC}" NAME)

      if(EXISTS ${source_dir}/${FILENAME})

        message(FATAL_ERROR "\n########################################################################\n"

                              "Found header file(s) generated by the make-based build system\n"

                              "\n"

                              "Please run\n"

                              "make -C ${source_dir} purge\n"

                              "to remove\n"

                              "########################################################################")

      endif()

    endforeach()

endfunction()



macro(pkg_depends PKG1 PKG2)

  if(PKG_${PKG1} AND NOT (PKG_${PKG2} OR BUILD_${PKG2}))

    message(FATAL_ERROR "${PKG1} package needs LAMMPS to be build with ${PKG2}")

  endif()

endmacro()

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