diff --git a/CMakeLists.txt b/CMakeLists.txt index 037589193..4df713272 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -2,7 +2,8 @@ # Copyright (c) 2015-2018 by Radovan Bast, Roberto Di Remigio, Jonas Juselius, and contributors. # set minimum cmake version -cmake_minimum_required(VERSION 3.3 FATAL_ERROR) +cmake_minimum_required(VERSION 3.16 FATAL_ERROR) +cmake_policy(SET CMP0053 NEW) # project name project(PCMSolver LANGUAGES CXX C Fortran) @@ -71,7 +72,8 @@ include(gperftools) include(autocmake_int64) include(autocmake_omp) include(autocmake_safeguards) -include(autocmake_python_interpreter) +#include(autocmake_python_interpreter) +find_package(Python REQUIRED COMPONENTS Interpreter) include(pcmsolver) include(api) include(autocmake_boost) diff --git a/THIRD-PARTY-LICENSES b/THIRD-PARTY-LICENSES new file mode 100644 index 000000000..30f42226d --- /dev/null +++ b/THIRD-PARTY-LICENSES @@ -0,0 +1,419 @@ +This project incorporates material from the project(s) listed below +(collectively, "Third Party Code"). 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For legal entities, “You” includes any entity that controls, is controlled by, or is under common control with You. For purposes of this definition, “control” means (a) the power, direct or indirect, to cause the direction or management of such entity, whether by contract or otherwise, or (b) ownership of more than fifty percent (50%) of the outstanding shares or beneficial ownership of such entity. +2. License Grants and Conditions +2.1. Grants +Each Contributor hereby grants You a world-wide, royalty-free, non-exclusive license: + +under intellectual property rights (other than patent or trademark) Licensable by such Contributor to use, reproduce, make available, modify, display, perform, distribute, and otherwise exploit its Contributions, either on an unmodified basis, with Modifications, or as part of a Larger Work; and +under Patent Claims of such Contributor to make, use, sell, offer for sale, have made, import, and otherwise transfer either its Contributions or its Contributor Version. +2.2. Effective Date +The licenses granted in Section 2.1 with respect to any Contribution become effective for each Contribution on the date the Contributor first distributes such Contribution. + +2.3. Limitations on Grant Scope +The licenses granted in this Section 2 are the only rights granted under this License. No additional rights or licenses will be implied from the distribution or licensing of Covered Software under this License. Notwithstanding Section 2.1(b) above, no patent license is granted by a Contributor: + +for any code that a Contributor has removed from Covered Software; or +for infringements caused by: (i) Your and any other third party’s modifications of Covered Software, or (ii) the combination of its Contributions with other software (except as part of its Contributor Version); or +under Patent Claims infringed by Covered Software in the absence of its Contributions. +This License does not grant any rights in the trademarks, service marks, or logos of any Contributor (except as may be necessary to comply with the notice requirements in Section 3.4). + +2.4. Subsequent Licenses +No Contributor makes additional grants as a result of Your choice to distribute the Covered Software under a subsequent version of this License (see Section 10.2) or under the terms of a Secondary License (if permitted under the terms of Section 3.3). + +2.5. Representation +Each Contributor represents that the Contributor believes its Contributions are its original creation(s) or it has sufficient rights to grant the rights to its Contributions conveyed by this License. + +2.6. Fair Use +This License is not intended to limit any rights You have under applicable copyright doctrines of fair use, fair dealing, or other equivalents. + +2.7. Conditions +Sections 3.1, 3.2, 3.3, and 3.4 are conditions of the licenses granted in Section 2.1. + +3. Responsibilities +3.1. Distribution of Source Form +All distribution of Covered Software in Source Code Form, including any Modifications that You create or to which You contribute, must be under the terms of this License. You must inform recipients that the Source Code Form of the Covered Software is governed by the terms of this License, and how they can obtain a copy of this License. You may not attempt to alter or restrict the recipients’ rights in the Source Code Form. + +3.2. Distribution of Executable Form +If You distribute Covered Software in Executable Form then: + +such Covered Software must also be made available in Source Code Form, as described in Section 3.1, and You must inform recipients of the Executable Form how they can obtain a copy of such Source Code Form by reasonable means in a timely manner, at a charge no more than the cost of distribution to the recipient; and +You may distribute such Executable Form under the terms of this License, or sublicense it under different terms, provided that the license for the Executable Form does not attempt to limit or alter the recipients’ rights in the Source Code Form under this License. +3.3. Distribution of a Larger Work +You may create and distribute a Larger Work under terms of Your choice, provided that You also comply with the requirements of this License for the Covered Software. If the Larger Work is a combination of Covered Software with a work governed by one or more Secondary Licenses, and the Covered Software is not Incompatible With Secondary Licenses, this License permits You to additionally distribute such Covered Software under the terms of such Secondary License(s), so that the recipient of the Larger Work may, at their option, further distribute the Covered Software under the terms of either this License or such Secondary License(s). + +3.4. Notices +You may not remove or alter the substance of any license notices (including copyright notices, patent notices, disclaimers of warranty, or limitations of liability) contained within the Source Code Form of the Covered Software, except that You may alter any license notices to the extent required to remedy known factual inaccuracies. + +3.5. Application of Additional Terms +You may choose to offer, and to charge a fee for, warranty, support, indemnity or liability obligations to one or more recipients of Covered Software. However, You may do so only on Your own behalf, and not on behalf of any Contributor. You must make it absolutely clear that any such warranty, support, indemnity, or liability obligation is offered by You alone, and You hereby agree to indemnify every Contributor for any liability incurred by such Contributor as a result of warranty, support, indemnity or liability terms You offer. You may include additional disclaimers of warranty and limitations of liability specific to any jurisdiction. + +4. Inability to Comply Due to Statute or Regulation +If it is impossible for You to comply with any of the terms of this License with respect to some or all of the Covered Software due to statute, judicial order, or regulation then You must: (a) comply with the terms of this License to the maximum extent possible; and (b) describe the limitations and the code they affect. Such description must be placed in a text file included with all distributions of the Covered Software under this License. Except to the extent prohibited by statute or regulation, such description must be sufficiently detailed for a recipient of ordinary skill to be able to understand it. + +5. Termination +5.1. The rights granted under this License will terminate automatically if You fail to comply with any of its terms. However, if You become compliant, then the rights granted under this License from a particular Contributor are reinstated (a) provisionally, unless and until such Contributor explicitly and finally terminates Your grants, and (b) on an ongoing basis, if such Contributor fails to notify You of the non-compliance by some reasonable means prior to 60 days after You have come back into compliance. Moreover, Your grants from a particular Contributor are reinstated on an ongoing basis if such Contributor notifies You of the non-compliance by some reasonable means, this is the first time You have received notice of non-compliance with this License from such Contributor, and You become compliant prior to 30 days after Your receipt of the notice. + +5.2. If You initiate litigation against any entity by asserting a patent infringement claim (excluding declaratory judgment actions, counter-claims, and cross-claims) alleging that a Contributor Version directly or indirectly infringes any patent, then the rights granted to You by any and all Contributors for the Covered Software under Section 2.1 of this License shall terminate. + +5.3. In the event of termination under Sections 5.1 or 5.2 above, all end user license agreements (excluding distributors and resellers) which have been validly granted by You or Your distributors under this License prior to termination shall survive termination. + +6. Disclaimer of Warranty +Covered Software is provided under this License on an “as is” basis, without warranty of any kind, either expressed, implied, or statutory, including, without limitation, warranties that the Covered Software is free of defects, merchantable, fit for a particular purpose or non-infringing. The entire risk as to the quality and performance of the Covered Software is with You. Should any Covered Software prove defective in any respect, You (not any Contributor) assume the cost of any necessary servicing, repair, or correction. This disclaimer of warranty constitutes an essential part of this License. No use of any Covered Software is authorized under this License except under this disclaimer. + +7. Limitation of Liability +Under no circumstances and under no legal theory, whether tort (including negligence), contract, or otherwise, shall any Contributor, or anyone who distributes Covered Software as permitted above, be liable to You for any direct, indirect, special, incidental, or consequential damages of any character including, without limitation, damages for lost profits, loss of goodwill, work stoppage, computer failure or malfunction, or any and all other commercial damages or losses, even if such party shall have been informed of the possibility of such damages. This limitation of liability shall not apply to liability for death or personal injury resulting from such party’s negligence to the extent applicable law prohibits such limitation. Some jurisdictions do not allow the exclusion or limitation of incidental or consequential damages, so this exclusion and limitation may not apply to You. + +8. Litigation +Any litigation relating to this License may be brought only in the courts of a jurisdiction where the defendant maintains its principal place of business and such litigation shall be governed by laws of that jurisdiction, without reference to its conflict-of-law provisions. Nothing in this Section shall prevent a party’s ability to bring cross-claims or counter-claims. + +9. Miscellaneous +This License represents the complete agreement concerning the subject matter hereof. If any provision of this License is held to be unenforceable, such provision shall be reformed only to the extent necessary to make it enforceable. Any law or regulation which provides that the language of a contract shall be construed against the drafter shall not be used to construe this License against a Contributor. + +10. Versions of the License +10.1. New Versions +Mozilla Foundation is the license steward. Except as provided in Section 10.3, no one other than the license steward has the right to modify or publish new versions of this License. Each version will be given a distinguishing version number. + +10.2. Effect of New Versions +You may distribute the Covered Software under the terms of the version of the License under which You originally received the Covered Software, or under the terms of any subsequent version published by the license steward. + +10.3. Modified Versions +If you create software not governed by this License, and you want to create a new license for such software, you may create and use a modified version of this License if you rename the license and remove any references to the name of the license steward (except to note that such modified license differs from this License). + +10.4. Distributing Source Code Form that is Incompatible With Secondary Licenses +If You choose to distribute Source Code Form that is Incompatible With Secondary Licenses under the terms of this version of the License, the notice described in Exhibit B of this License must be attached. + diff --git a/cmake/PCMSolverConfig.cmake.in b/cmake/PCMSolverConfig.cmake.in index 0dbbd440d..12e465a06 100644 --- a/cmake/PCMSolverConfig.cmake.in +++ b/cmake/PCMSolverConfig.cmake.in @@ -7,16 +7,29 @@ # :: # # PCMSolver_FOUND - true if PCMSolver and all required components found on the system -# PCMSolver_VERSION - PCMSolver version in format Major.Minor.Release +# PCMSolver_VERSION - PCMSolver version in format Major.Minor.Release. # PCMSolver_INCLUDE_DIRS - Directory where the PCMSolver/pcmsolver.h, # PCMSolver/PCMInput.h headers and PCMSolver/pcmsolver.f90 source file are located. -# PCMSolver_INCLUDE_DIR - same as DIRS -# PCMSolver_DEFINITIONS: Definitions necessary to use PCMSolver, namely USING_PCMSolver. -# PCMSolver_LIBRARIES - PCMSolver library to link against. -# PCMSolver_LIBRARY - same as LIBRARIES -# PCMSolver_EXECUTABLE - path to PCMSolver executable +# Prefer targets. +# PCMSolver_INCLUDE_DIR - same as DIRS. Prefer targets. +# PCMSolver_DEFINITIONS: Definitions necessary to use PCMSolver, namely USING_PCMSolver. Prefer targets. +# PCMSolver_LIBRARIES - PCMSolver library to link against plus any dependent libraries. Prefer targets. +# PCMSolver_LIBRARY - same as LIBRARIES. Prefer targets. +# PCMSolver_EXECUTABLE - path to PCMSolver executable. Prefer targets. +# PCMSolver_PYMOD - path to PCMSolver python modules. Prefer target variable. +# +# +# Target variables: +# +# It is preferred to use properties set on the base target rather than using the above variables. +# +# :: +# +# PCMSolver_VERSION - (DNE) PCMSolver version in format Major.Minor.Release . Does not exist b/c computed at compile-time. # PCMSolver_PYMOD - path to PCMSolver python modules # +# get_property(_pym TARGET PCMSolver::pcm PROPERTY PCMSolver_PYMOD) +# # # Available components: shared static exe # @@ -31,18 +44,24 @@ # # :: # -# If PCMSolver is found, this module defines the following :prop_tgt:`IMPORTED` -# target. :: +# If PCMSolver is found and no language components are requested, this module +# defines at least the following :prop_tgt:`IMPORTED` target. :: # # PCMSolver::pcm - the main PCMSolver library with header & defs attached. # +# If PCMSolver is found, depending on components requested and fullness of the +# installation, this module defines up to the following :prop_tgt:`IMPORTED` targets. :: +# +# PCMSolver::pcm - the main PCMSolver library with header & defs attached. +# PCMSolver::exe - the PCMSolver run_pcm program (COMPONENT exe) +# # # Suggested usage: # # :: # # find_package(PCMSolver) -# find_package(PCMSolver 1.1.7 CONFIG REQUIRED COMPONENTS shared) +# find_package(PCMSolver 1.2.3 CONFIG REQUIRED COMPONENTS shared) # # # The following variables can be set to guide the search for this package: @@ -54,111 +73,89 @@ # PATH - environment variable, set to bin directory of this package # CMAKE_DISABLE_FIND_PACKAGE_PCMSolver - CMake variable, disables # find_package(PCMSolver) perhaps to force internal build +# @PACKAGE_INIT@ -set(PN PCMSolver) -set (_valid_components - static - shared - exe -) +set(pcm PCMSolver) # NameSpace -# find includes -unset(_temp_h CACHE) -find_path(_temp_h - NAMES PCMSolver/pcmsolver.h - PATHS ${PACKAGE_PREFIX_DIR}/@CMAKE_INSTALL_INCLUDEDIR@ - NO_DEFAULT_PATH) -if(_temp_h) - set(${PN}_INCLUDE_DIR "${_temp_h}") - set(${PN}_INCLUDE_DIRS ${${PN}_INCLUDE_DIR}) -else() - set(${PN}_FOUND 0) - if(NOT CMAKE_REQUIRED_QUIET) - message(STATUS "${PN}Config missing component: header (${PN}: ${_temp_h})") - endif() +# check library style component +# * using EXISTS Targets-shared instead of @SHARED_LIBRARY_ONLY@ so packages can +# truncate their builds (e.g., build static for tests but only ship shared) +if (EXISTS "${CMAKE_CURRENT_LIST_DIR}/${pcm}Targets-shared.cmake") + set(${pcm}_shared_FOUND 1) endif() - -# find executable -list(FIND ${PN}_FIND_COMPONENTS "exe" _seek_exe) -unset(_temp_exe CACHE) -find_program(_temp_exe - NAMES run_pcm - PATHS ${PACKAGE_PREFIX_DIR}/@CMAKE_INSTALL_BINDIR@ - NO_DEFAULT_PATH) -if(_temp_exe) - set(${PN}_EXECUTABLE "{_temp_exe}") - if(_seek_exe GREATER -1) - set(${PN}_exe_FOUND 1) - endif() -else() - if(_seek_exe GREATER -1) - if(NOT CMAKE_REQUIRED_QUIET) - message(STATUS "${PN}Config missing component: executable (${PN}: ${_temp_exe})") - endif() - endif() +if (EXISTS "${CMAKE_CURRENT_LIST_DIR}/${pcm}Targets-static.cmake") + set(${pcm}_static_FOUND 1) endif() +list(FIND ${pcm}_FIND_COMPONENTS "shared" _seek_shared) +list(FIND ${pcm}_FIND_COMPONENTS "static" _seek_static) -# find library: shared, static, or whichever -set(_hold_library_suffixes ${CMAKE_FIND_LIBRARY_SUFFIXES}) -list(FIND ${PN}_FIND_COMPONENTS "shared" _seek_shared) -list(FIND ${PN}_FIND_COMPONENTS "static" _seek_static) -if(_seek_shared GREATER -1) - set(CMAKE_FIND_LIBRARY_SUFFIXES ${CMAKE_SHARED_LIBRARY_SUFFIX}) -elseif(_seek_static GREATER -1) - set(CMAKE_FIND_LIBRARY_SUFFIXES ${CMAKE_STATIC_LIBRARY_SUFFIX}) +# check executable component +if (@BUILD_STANDALONE@ AND EXISTS "${CMAKE_CURRENT_LIST_DIR}/${pcm}Targets-exe.cmake") # BUILD_STANDALONE + set(${pcm}_exe_FOUND 1) endif() -unset(_temp CACHE) -find_library(_temp - NAMES pcm - PATHS ${PACKAGE_PREFIX_DIR}/@CMAKE_INSTALL_LIBDIR@ - NO_DEFAULT_PATH) -if(_temp) - set(${PN}_LIBRARY "${_temp}") - if(_seek_shared GREATER -1) - set(${PN}_shared_FOUND 1) - elseif(_seek_static GREATER -1) - set(${PN}_static_FOUND 1) - endif() -else() - if(_seek_shared GREATER -1) - if(NOT CMAKE_REQUIRED_QUIET) - message(STATUS "${PN}Config missing component: shared library (${PN}: ${_temp})") - endif() - elseif(_seek_static GREATER -1) - if(NOT CMAKE_REQUIRED_QUIET) - message(STATUS "${PN}Config missing component: static library (${PN}: ${_temp})") - endif() - else() - set(${PN}_FOUND 0) - if(NOT CMAKE_REQUIRED_QUIET) - message(STATUS "${PN}Config missing component: library (${PN}: ${_temp})") - endif() - endif() +list(FIND ${pcm}_FIND_COMPONENTS "exe" _seek_exe) + +# check library dependency available +include(CMakeFindDependencyMacro) +if(NOT TARGET ZLIB::ZLIB) + find_dependency(ZLIB) endif() -set(CMAKE_FIND_LIBRARY_SUFFIXES ${_hold_library_suffixes}) -set(${PN}_LIBRARIES ${${PN}_LIBRARY}) -set(${PN}_DEFINITIONS USING_${PN}) -set(${PN}_PYMOD ${PACKAGE_PREFIX_DIR}/@CMAKE_INSTALL_LIBDIR@/@PYMOD_INSTALL_LIBDIR@) -check_required_components(${PN}) +# Check all required components are available before trying to load any +check_required_components(${pcm}) #----------------------------------------------------------------------------- # Don't include targets if this file is being picked up by another # project which has already built this as a subproject #----------------------------------------------------------------------------- -if(NOT TARGET ${PN}::pcm) - get_filename_component(_fext ${${PN}_LIBRARY} EXT) - if(${_fext} STREQUAL ${CMAKE_SHARED_LIBRARY_SUFFIX}) - include("${CMAKE_CURRENT_LIST_DIR}/${PN}Targets-shared.cmake") - else() - include("${CMAKE_CURRENT_LIST_DIR}/${PN}Targets-static.cmake") +if(NOT TARGET ${pcm}::pcm) + if(_seek_static GREATER -1) + include("${CMAKE_CURRENT_LIST_DIR}/${pcm}Targets-static.cmake") + elseif(_seek_shared GREATER -1) + include("${CMAKE_CURRENT_LIST_DIR}/${pcm}Targets-shared.cmake") + elseif(NOT @STATIC_LIBRARY_ONLY@) # STATIC_LIBRARY_ONLY + include("${CMAKE_CURRENT_LIST_DIR}/${pcm}Targets-shared.cmake") + elseif(NOT @SHARED_LIBRARY_ONLY@) # SHARED_LIBRARY_ONLY + include("${CMAKE_CURRENT_LIST_DIR}/${pcm}Targets-static.cmake") endif() - include(CMakeFindDependencyMacro) - if(NOT TARGET ZLIB::ZLIB) - find_dependency(ZLIB) + get_property(_loc TARGET ${pcm}::pcm PROPERTY LOCATION) + get_property(_ill TARGET ${pcm}::pcm PROPERTY INTERFACE_LINK_LIBRARIES) + get_property(_iid TARGET ${pcm}::pcm PROPERTY INTERFACE_INCLUDE_DIRECTORIES) + get_property(_icd TARGET ${pcm}::pcm PROPERTY INTERFACE_COMPILE_DEFINITIONS) + set(${pcm}_LIBRARY ${_loc}) + set(${pcm}_LIBRARIES ${_loc};${_ill}) + set(${pcm}_INCLUDE_DIR ${_iid}) + set(${pcm}_INCLUDE_DIRS ${_iid}) + set(${pcm}_DEFINITIONS ${_icd}) + + if(${pcm}_exe_FOUND) + include("${CMAKE_CURRENT_LIST_DIR}/${pcm}Targets-exe.cmake") + get_property(${pcm}_EXECUTABLE TARGET ${pcm}::exe PROPERTY LOCATION) endif() -endif() + set(${pcm}_PYMOD ${PACKAGE_PREFIX_DIR}/@CMAKE_INSTALL_LIBDIR@@PYMOD_INSTALL_LIBDIR@) # CMAKE_INSTALL_LIBDIR, PYMOD_INSTALL_LIBDIR + + if (CMAKE_VERSION VERSION_GREATER 3.15) + message(VERBOSE "PCMSolver::pcm") + + get_property(_ver TARGET ${pcm}::pcm PROPERTY PCMSolver_VERSION) + get_property(_pym TARGET ${pcm}::pcm PROPERTY PCMSolver_PYMOD) + message(VERBOSE "${pcm}::pcm.${pcm}_VERSION (DNE) ${_ver}") + message(VERBOSE "${pcm}::pcm.${pcm}_PYMOD ${_pym}") + + message(VERBOSE "${pcm}_FOUND ${${pcm}_FOUND}") + message(VERBOSE "${pcm}_VERSION ${${pcm}_VERSION}") + message(VERBOSE "${pcm}_DEFINITIONS ${${pcm}_DEFINITIONS}") + message(VERBOSE "${pcm}_EXECUTABLE ${${pcm}_EXECUTABLE}") + message(VERBOSE "${pcm}_PYMOD ${${pcm}_PYMOD}") + + message(VERBOSE "${pcm}_LIBRARY ${${pcm}_LIBRARY}") + message(VERBOSE "${pcm}_LIBRARIES ${${pcm}_LIBRARIES}") + message(VERBOSE "${pcm}_INCLUDE_DIR ${${pcm}_INCLUDE_DIR}") + message(VERBOSE "${pcm}_INCLUDE_DIRS ${${pcm}_INCLUDE_DIRS}") + endif() + +endif() diff --git a/cmake/custom/compilers/CXXFlags.cmake b/cmake/custom/compilers/CXXFlags.cmake index 4c9afe546..b6f6fd8c3 100644 --- a/cmake/custom/compilers/CXXFlags.cmake +++ b/cmake/custom/compilers/CXXFlags.cmake @@ -7,7 +7,7 @@ if(ENABLE_CXX11_SUPPORT) RESULT cxx11_flag LANGUAGE CXX REQUIRED - FLAGS "-std=c++11;-std=c++0x;--c++11;--c++0x" + FLAGS "-std=c++11;/std:c++11;-std=c++0x;--c++11;--c++0x" ) if(cxx11_flag) set(CXX_STANDARD_FLAG ${cxx11_flag}) diff --git a/cmake/custom/eigen.cmake b/cmake/custom/eigen.cmake index bd635df0e..7882a8ed4 100644 --- a/cmake/custom/eigen.cmake +++ b/cmake/custom/eigen.cmake @@ -13,7 +13,7 @@ if(EIGEN3_ROOT) set(EIGEN3_INCLUDE_DIR ${EIGEN3_ROOT}/include) find_package(Eigen3 3.3.0) - message(STATUS "Eigen " ${EIGEN3_VERSION} " is located here: " ${EIGEN3_INCLUDE_DIR}) + message(STATUS "Eigen FOUND " ${EIGEN3_VERSION_STRING} " is located here: " ${EIGEN3_INCLUDE_DIR}) if(NOT EIGEN3_FOUND) set(EIGEN3_INCLUDE_DIR ${PROJECT_SOURCE_DIR}/external/eigen3/include/eigen3) message(STATUS "Eigen 3.3.2 is located here: " ${EIGEN3_INCLUDE_DIR}) diff --git a/cmake/custom/find_python_module.cmake b/cmake/custom/find_python_module.cmake index 314a68e33..af48089fe 100644 --- a/cmake/custom/find_python_module.cmake +++ b/cmake/custom/find_python_module.cmake @@ -9,7 +9,7 @@ macro(find_python_module module) endif() # A module's location is usually a directory, but for binary modules # it's a .so file. - execute_process(COMMAND "${PYTHON_EXECUTABLE}" "-c" + execute_process(COMMAND "${Python_EXECUTABLE}" "-c" "import re, ${module}; print(re.compile('/__init__.py.*').sub('',${module}.__file__))" RESULT_VARIABLE _${module}_status OUTPUT_VARIABLE _${module}_location diff --git a/cmake/custom/FindEigen3.cmake b/cmake/custom/hide_FindEigen3.cmake similarity index 100% rename from cmake/custom/FindEigen3.cmake rename to cmake/custom/hide_FindEigen3.cmake diff --git a/cmake/custom/pcmsolver.cmake b/cmake/custom/pcmsolver.cmake index 0e1a32a36..da5f49068 100644 --- a/cmake/custom/pcmsolver.cmake +++ b/cmake/custom/pcmsolver.cmake @@ -1,6 +1,7 @@ option(ENABLE_LOGGER "Enable logger" OFF) option(ENABLE_TIMER "Enable timer" ON) option(BUILD_STANDALONE "Enable build of standalone executables" ON) +option_with_default(PCMSolver_INSTALL_CMAKEDIR "Directory to which PCMSolver CMake config files installed." share/cmake/${PROJECT_NAME}) # Add definitions if(ENABLE_TIMER) @@ -18,23 +19,22 @@ include(GNUInstallDirs) set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_LIBDIR}) set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_LIBDIR}) set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}) -# Hardcode to share, rather than use CMAKE_INSTALL_DATAROOTDIR as the latter -# might resolve to a place not recognized by CMake -set(CMAKECONFIG_INSTALL_DIR "share/cmake/${PROJECT_NAME}") + +set(CMAKECONFIG_INSTALL_DIR "${PCMSolver_INSTALL_CMAKEDIR}") if(NOT DEFINED PYMOD_INSTALL_LIBDIR) - message(STATUS "Setting (unspecified) option PYMOD_INSTALL_LIBDIR: python") - set(PYMOD_INSTALL_LIBDIR "python" CACHE STRING "Location within CMAKE_INSTALL_LIBDIR to which Python modules are installed" FORCE) + message(STATUS "Setting (unspecified) option PYMOD_INSTALL_LIBDIR: /python") + set(PYMOD_INSTALL_LIBDIR "/python" CACHE STRING "Location within CMAKE_INSTALL_LIBDIR to which Python modules are installed" FORCE) else() - message(STATUS "Setting option PYMOD_INSTALL_LIBDIR: ${PYMOD_INSTALL_LIBDIR}") + message(STATUS "Setting option PYMOD_INSTALL_LIBDIR (should start with /): ${PYMOD_INSTALL_LIBDIR}") set(PYMOD_INSTALL_LIBDIR "${PYMOD_INSTALL_LIBDIR}" CACHE STRING "Location within CMAKE_INSTALL_LIBDIR to which Python modules are installed" FORCE) endif() -file(TO_NATIVE_PATH "${CMAKE_INSTALL_LIBDIR}/${PYMOD_INSTALL_LIBDIR}/pcmsolver" PYMOD_INSTALL_FULLDIR) +file(TO_NATIVE_PATH "${CMAKE_INSTALL_LIBDIR}${PYMOD_INSTALL_LIBDIR}/pcmsolver" PYMOD_INSTALL_FULLDIR) add_custom_target(update_version ALL COMMAND - ${PYTHON_EXECUTABLE} ${PROJECT_SOURCE_DIR}/tools/versioner.py + ${Python_EXECUTABLE} ${PROJECT_SOURCE_DIR}/tools/versioner.py --metaout ${CMAKE_CURRENT_BINARY_DIR}/metadata.py --cmakeout ${CMAKE_CURRENT_BINARY_DIR}/metadata.cmake --headerout ${CMAKE_CURRENT_BINARY_DIR}/include/VersionInfo.hpp diff --git a/cmake/downloaded/autocmake_boost.cmake b/cmake/downloaded/autocmake_boost.cmake index cbfabfd1e..6d9c9c195 100644 --- a/cmake/downloaded/autocmake_boost.cmake +++ b/cmake/downloaded/autocmake_boost.cmake @@ -104,6 +104,7 @@ else() # Read from cache, needed for rebuilds set(BOOST_INCLUDEDIR ${Boost_INCLUDE_DIR}) set(BOOST_LIBRARYDIR ${Boost_LIBRARY_DIR}) + set(Boost_VERBOSE ON) find_package(Boost ${BOOST_MINIMUM_REQUIRED} COMPONENTS "${BOOST_COMPONENTS_REQUIRED}") if(NOT Boost_FOUND) set(BUILD_CUSTOM_BOOST TRUE) diff --git a/cmake/downloaded/boost_cleanup.cmake b/cmake/downloaded/boost_cleanup.cmake index bbe878f5d..264bafba7 100644 --- a/cmake/downloaded/boost_cleanup.cmake +++ b/cmake/downloaded/boost_cleanup.cmake @@ -2,10 +2,20 @@ # licensed under BSD-3: https://github.com/coderefinery/autocmake/blob/master/LICENSE # Clean-up -add_custom_command( +if(WIN32) + # observed trouble deleting the directory on Windows + MinGW + multiple builds + add_custom_command( OUTPUT ${CUSTOM_BOOST_LOCATION}/boost.cleanedup - COMMAND ${CMAKE_COMMAND} -E remove_directory ${BOOST_BUILD_DIR} COMMAND ${CMAKE_COMMAND} -E touch ${CUSTOM_BOOST_LOCATION}/boost.cleanedup WORKING_DIRECTORY ${CUSTOM_BOOST_LOCATION} DEPENDS ${CUSTOM_BOOST_LOCATION}/boost.installed COMMENT "Clean-up Boost") +else() + add_custom_command( + OUTPUT ${CUSTOM_BOOST_LOCATION}/boost.cleanedup + COMMAND ${CMAKE_COMMAND} -E rm -r ${BOOST_BUILD_DIR} + COMMAND ${CMAKE_COMMAND} -E touch ${CUSTOM_BOOST_LOCATION}/boost.cleanedup + WORKING_DIRECTORY ${CUSTOM_BOOST_LOCATION} + DEPENDS ${CUSTOM_BOOST_LOCATION}/boost.installed + COMMENT "Clean-up Boost") +endif() diff --git a/cmake/downloaded/boost_configure.cmake b/cmake/downloaded/boost_configure.cmake index fdbe01ae4..633977681 100644 --- a/cmake/downloaded/boost_configure.cmake +++ b/cmake/downloaded/boost_configure.cmake @@ -7,7 +7,7 @@ add_custom_command( OUTPUT ${CUSTOM_BOOST_LOCATION}/boost.configured COMMAND ./bootstrap.sh --with-toolset=${toolset} ${select_libraries} - --with-python=${PYTHON_EXECUTABLE} + --with-python=${Python_EXECUTABLE} --prefix=${CUSTOM_BOOST_LOCATION} 1> ${CUSTOM_BOOST_LOCATION}/boost.configured.log 2> ${CUSTOM_BOOST_LOCATION}/boost.configured.err COMMAND ${CMAKE_COMMAND} -E touch ${CUSTOM_BOOST_LOCATION}/boost.configured WORKING_DIRECTORY ${BOOST_BUILD_DIR} diff --git a/external/Catch/catch.hpp b/external/Catch/catch.hpp index 849c53c13..b50994742 100644 --- a/external/Catch/catch.hpp +++ b/external/Catch/catch.hpp @@ -2056,8 +2056,10 @@ namespace Catch{ #define CATCH_TRAP() \ __asm__("li r0, 20\nsc\nnop\nli r0, 37\nli r4, 2\nsc\nnop\n" \ : : : "memory","r0","r3","r4" ) /* NOLINT */ - #else - #define CATCH_TRAP() __asm__("int $3\n" : : /* NOLINT */ ) + #elif defined(__i386__) || defined(__x86_64__) + #define CATCH_TRAP() __asm__("int $3\n" : : ) /* NOLINT */ + #elif defined(__aarch64__) + #define CATCH_TRAP() __asm__(".inst 0xd4200000") #endif #elif defined(CATCH_PLATFORM_LINUX) diff --git a/setup.py b/setup.py index 2c3035896..3b00e99fe 100755 --- a/setup.py +++ b/setup.py @@ -29,7 +29,7 @@ --gperf Enable profiling with gperftools [default: False]. --int64 Enable 64bit integers [default: False]. --omp Enable OpenMP parallelization [default: False]. - --python= The Python interpreter (development version) to use. [default: '']. + --python= The Python interpreter (development version) to use. [default: '']. --fbindings= Enable testing of Fortran 90 API bindings [default: ON]. --boost-headers= Include directories for Boost [default: '']. --boost-libraries= Library directories for Boost [default: '']. @@ -65,7 +65,7 @@ def gen_cmake_command(options, arguments): command.append('-DENABLE_GPERFTOOLS={0}'.format(arguments['--gperf'])) command.append('-DENABLE_64BIT_INTEGERS={0}'.format(arguments['--int64'])) command.append('-DENABLE_OPENMP={0}'.format(arguments['--omp'])) - command.append('-DPYTHON_INTERPRETER="{0}"'.format(arguments['--python'])) + command.append('-DPython_EXECUTABLE="{0}"'.format(arguments['--python'])) command.append('-DTEST_Fortran_API={0}'.format(arguments['--fbindings'])) command.append('-DBOOST_INCLUDEDIR="{0}"'.format(arguments['--boost-headers'])) command.append('-DBOOST_LIBRARYDIR="{0}"'.format(arguments['--boost-libraries'])) diff --git a/src/CMakeLists.txt b/src/CMakeLists.txt index 0c18230d1..9afff3a33 100644 --- a/src/CMakeLists.txt +++ b/src/CMakeLists.txt @@ -41,6 +41,11 @@ add_subdirectory(pedra) add_subdirectory(solver) add_subdirectory(utils) +set(export_properties + #"PCMSolver_VERSION" (can't be added b/c not available at configure-time) + "PCMSolver_PYMOD" + ) + if(NOT STATIC_LIBRARY_ONLY) add_library(pcm-shared SHARED $) target_compile_definitions(pcm-shared @@ -53,6 +58,7 @@ if(NOT STATIC_LIBRARY_ONLY) INTERFACE $ $ + $ $ $ ) @@ -68,16 +74,22 @@ if(NOT STATIC_LIBRARY_ONLY) MACOSX_RPATH ON OUTPUT_NAME "pcm" EXPORT_NAME "pcm" + PCMSolver_PYMOD "${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR}${PYMOD_INSTALL_LIBDIR}" ) + set_property(TARGET pcm-shared APPEND PROPERTY EXPORT_PROPERTIES "${export_properties}") install( TARGETS pcm-shared EXPORT - "PCMSolverTargets-shared" + shared_interface RUNTIME DESTINATION + ${CMAKE_INSTALL_BINDIR} + ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR} LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} + PUBLIC_HEADER DESTINATION + ${CMAKE_INSTALL_INCLUDEDIR} ) add_dependencies(pcm-shared generate-config-hpp) endif() @@ -94,6 +106,7 @@ if(NOT SHARED_LIBRARY_ONLY) INTERFACE $ $ + $ $ $ ) @@ -105,22 +118,32 @@ if(NOT SHARED_LIBRARY_ONLY) PROPERTIES OUTPUT_NAME "pcm" EXPORT_NAME "pcm" + PCMSolver_PYMOD "${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_LIBDIR}${PYMOD_INSTALL_LIBDIR}" ) + set_property(TARGET pcm-static APPEND PROPERTY EXPORT_PROPERTIES "${export_properties}") install( TARGETS pcm-static EXPORT - "PCMSolverTargets-static" + static_interface + RUNTIME DESTINATION + ${CMAKE_INSTALL_BINDIR} ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR} + LIBRARY DESTINATION + ${CMAKE_INSTALL_LIBDIR} + PUBLIC_HEADER DESTINATION + ${CMAKE_INSTALL_INCLUDEDIR} ) add_dependencies(pcm-static generate-config-hpp) endif() if(STATIC_LIBRARY_ONLY) add_library(PCMSolver ALIAS pcm-static) + add_library(PCMSolver::pcm ALIAS pcm-static) else() add_library(PCMSolver ALIAS pcm-shared) + add_library(PCMSolver::pcm ALIAS pcm-shared) endif() include(GenerateExportHeader) @@ -170,7 +193,9 @@ install( if(NOT STATIC_LIBRARY_ONLY) install( EXPORT - "PCMSolverTargets-shared" + shared_interface + FILE + "PCMSolverTargets-shared.cmake" NAMESPACE "PCMSolver::" DESTINATION @@ -181,7 +206,9 @@ endif() if(NOT SHARED_LIBRARY_ONLY) install( EXPORT - "PCMSolverTargets-static" + static_interface + FILE + "PCMSolverTargets-static.cmake" NAMESPACE "PCMSolver::" DESTINATION diff --git a/src/bin/CMakeLists.txt b/src/bin/CMakeLists.txt index 458b36077..b03df7847 100644 --- a/src/bin/CMakeLists.txt +++ b/src/bin/CMakeLists.txt @@ -4,7 +4,8 @@ #target_link_libraries(debug_wavcav solver cavity wavcav pwl wem utils) add_executable(run_pcm run_pcm.cpp) -target_link_libraries(run_pcm PCMSolver) +add_executable(PCMSolver::run_pcm ALIAS run_pcm) +target_link_libraries(run_pcm PCMSolver::pcm) if(ENABLE_GPERFTOOLS) target_link_libraries(run_pcm ${GPERFTOOLS_LIBRARIES}) endif() @@ -23,5 +24,23 @@ set_target_properties(run_pcm BUILD_WITH_INSTALL_RPATH OFF INSTALL_RPATH "$ORIGIN/../${CMAKE_INSTALL_LIBDIR}" INSTALL_RPATH_USE_LINK_PATH ON + EXPORT_NAME "exe" + ) +install( + TARGETS + run_pcm + EXPORT + executable_interface + RUNTIME DESTINATION + ${CMAKE_INSTALL_BINDIR} + ) +install( + EXPORT + executable_interface + FILE + "PCMSolverTargets-exe.cmake" + NAMESPACE + "PCMSolver::" + DESTINATION + ${CMAKECONFIG_INSTALL_DIR} ) -install(TARGETS run_pcm RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR}) diff --git a/src/cavity/ICavity.cpp b/src/cavity/ICavity.cpp index 9ac547f57..05735bc45 100644 --- a/src/cavity/ICavity.cpp +++ b/src/cavity/ICavity.cpp @@ -57,6 +57,7 @@ ICavity::ICavity(const Molecule & molec) } void ICavity::saveCavity(const std::string & fname) { + // Write everything in a single .npz binary file unsigned int dim = static_cast(nElements_); // Write the number of elements, it will be used to check sanity of the save/load diff --git a/tests/CMakeLists.txt b/tests/CMakeLists.txt index fe8da44bc..bc5046ae8 100644 --- a/tests/CMakeLists.txt +++ b/tests/CMakeLists.txt @@ -1,7 +1,7 @@ cmake_policy(SET CMP0063 NEW) # Prepare "Catch" library for other executables -set(CATCH_INCLUDE_DIR ${CMAKE_SOURCE_DIR}/external/Catch) +set(CATCH_INCLUDE_DIR ${PROJECT_SOURCE_DIR}/external/Catch) add_library(Catch INTERFACE) target_include_directories(Catch INTERFACE ${CATCH_INCLUDE_DIR}) diff --git a/tests/input/CMakeLists.txt b/tests/input/CMakeLists.txt index 73989d153..a6aac092f 100644 --- a/tests/input/CMakeLists.txt +++ b/tests/input/CMakeLists.txt @@ -22,7 +22,7 @@ add_test( NAME parser_script-diffuse COMMAND - ${PYTHON_EXECUTABLE} "-c" "from pcmsolver import parse_pcm_input; \ + ${Python_EXECUTABLE} "-c" "from pcmsolver import parse_pcm_input; \ parsed = parse_pcm_input('diffuse.inp', write_out=True)" WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} @@ -46,7 +46,7 @@ add_test( NAME parser_script-multipoles COMMAND - ${PYTHON_EXECUTABLE} "-c" "from pcmsolver import parse_pcm_input; \ + ${Python_EXECUTABLE} "-c" "from pcmsolver import parse_pcm_input; \ parsed = parse_pcm_input('multipoles.inp', write_out=True)" WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} @@ -70,7 +70,7 @@ add_test( NAME parser_script-restart COMMAND - ${PYTHON_EXECUTABLE} "-c" "from pcmsolver import parse_pcm_input; \ + ${Python_EXECUTABLE} "-c" "from pcmsolver import parse_pcm_input; \ parsed = parse_pcm_input('restart.inp', write_out=True)" WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} @@ -95,7 +95,7 @@ add_test( NAME parser_script-cpcm COMMAND - ${PYTHON_EXECUTABLE} "-c" "from pcmsolver import parse_pcm_input; \ + ${Python_EXECUTABLE} "-c" "from pcmsolver import parse_pcm_input; \ parsed = parse_pcm_input('cpcm.inp', write_out=True)" WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} @@ -119,7 +119,7 @@ add_test( NAME parser_script-sharp COMMAND - ${PYTHON_EXECUTABLE} "-c" "from pcmsolver import parse_pcm_input; \ + ${Python_EXECUTABLE} "-c" "from pcmsolver import parse_pcm_input; \ parsed = parse_pcm_input('sharp.inp', write_out=True)" WORKING_DIRECTORY ${CMAKE_CURRENT_BINARY_DIR} diff --git a/tests/standalone/CMakeLists.txt b/tests/standalone/CMakeLists.txt index 1dfc78095..ce89c26d9 100644 --- a/tests/standalone/CMakeLists.txt +++ b/tests/standalone/CMakeLists.txt @@ -14,7 +14,7 @@ add_test( NAME pcmsolver_standalone COMMAND - ${PYTHON_EXECUTABLE} ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}/go_pcm.py + ${Python_EXECUTABLE} ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}/go_pcm.py --exe=${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR} --inp=standalone.pcm WORKING_DIRECTORY @@ -30,7 +30,7 @@ add_test( NAME pcmsolver_standalone-atoms COMMAND - ${PYTHON_EXECUTABLE} ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}/go_pcm.py + ${Python_EXECUTABLE} ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}/go_pcm.py --exe=${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR} --inp=standalone_atoms.pcm WORKING_DIRECTORY @@ -46,7 +46,7 @@ add_test( NAME pcmsolver_standalone-explicit COMMAND - ${PYTHON_EXECUTABLE} ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}/go_pcm.py + ${Python_EXECUTABLE} ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}/go_pcm.py --exe=${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR} --inp=standalone_explicit.pcm WORKING_DIRECTORY @@ -63,7 +63,7 @@ add_test( NAME pcmsolver_pNA-SPD-failure COMMAND - ${PYTHON_EXECUTABLE} ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}/go_pcm.py + ${Python_EXECUTABLE} ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}/go_pcm.py --exe=${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR} --inp=pNA_SPD_failure.pcm WORKING_DIRECTORY @@ -81,7 +81,7 @@ add_test( NAME pcmsolver_biphenyl-gauss-failure COMMAND - ${PYTHON_EXECUTABLE} ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}/go_pcm.py + ${Python_EXECUTABLE} ${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR}/go_pcm.py --exe=${PROJECT_BINARY_DIR}/${CMAKE_INSTALL_BINDIR} --inp=biphenyl_gauss_failure.pcm WORKING_DIRECTORY diff --git a/tools/getkw.py b/tools/getkw.py index 4f0701224..acb31b945 100644 --- a/tools/getkw.py +++ b/tools/getkw.py @@ -738,9 +738,9 @@ def getkw_bnf(self): dmark = Literal('$').suppress() end_data = Literal('$end').suppress() prtable = alphanums + r'!$%&*+-./<>?@^_|~' - ival = Regex('[-]?\d+') - dval = Regex('-?\d+\.\d*([eE]?[+-]?\d+)?') - lval = Regex('([Yy]es|[Nn]o|[Tt]rue|[Ff]alse|[Oo]n|[Oo]ff)') + ival = Regex(r'[-]?\d+') + dval = Regex(r'-?\d+\.\d*([eE]?[+-]?\d+)?') + lval = Regex(r'([Yy]es|[Nn]o|[Tt]rue|[Ff]alse|[Oo]n|[Oo]ff)') # Helper definitions diff --git a/tools/pcmparser.py b/tools/pcmparser.py index f9860ff9f..615a98acb 100644 --- a/tools/pcmparser.py +++ b/tools/pcmparser.py @@ -44,7 +44,6 @@ from copy import deepcopy import re -from .getkw import Section, GetkwParser from .pcmdata import CODATAdict, allowedSolvents isAngstrom = False @@ -80,6 +79,9 @@ def parse_pcm_input(inputFile, write_out=False): ... """ + from importlib import reload + from . import getkw + # Set up valid keywords. valid_keywords = setup_keywords() @@ -88,7 +90,8 @@ def parse_pcm_input(inputFile, write_out=False): # Set up a GetKw object and let it parse our input: # here is where the magic happens. - inkw = GetkwParser().parseFile(uppercased) + getkw = reload(getkw) + inkw = getkw.GetkwParser().parseFile(uppercased) # Remove temporary file os.remove(uppercased) inkw.sanitize(valid_keywords) @@ -153,6 +156,8 @@ def setup_keywords(): """ Sets up sections, keywords and respective callback functions. """ + from .getkw import Section + # Top-level section top = Section('toplevel', callback=verify_top) top.set_status(True) @@ -470,7 +475,7 @@ def verify_medium(section): sys.exit(1) integrator = section.get('DIAGONALINTEGRATOR') - if (integrator.get() is not 'COLLOCATION'): + if (integrator.get() != 'COLLOCATION'): print('Only the collocation integrator is available') sys.exit(1) diff --git a/tools/pyparsing.py b/tools/pyparsing.py index a3006c109..b0161c1b3 100644 --- a/tools/pyparsing.py +++ b/tools/pyparsing.py @@ -795,7 +795,7 @@ def __dir__(self): return dir(super(ParseResults, self)) + list(self.keys()) -collections.MutableMapping.register(ParseResults) +collections.abc.MutableMapping.register(ParseResults) def col(loc, strg): @@ -2092,7 +2092,7 @@ def parseImpl(self, instring, loc, doActions=True): if isinstance(ret, basestring): # replace escaped characters if self.escChar: - ret = re.sub(self.escCharReplacePattern, "\g<1>", ret) + ret = re.sub(self.escCharReplacePattern, r"\g<1>", ret) # replace escaped quotes if self.escQuote: @@ -2386,7 +2386,7 @@ def __init__(self, exprs, savelist=False): if isinstance(exprs, basestring): self.exprs = [Literal(exprs)] - elif isinstance(exprs, collections.Sequence): + elif isinstance(exprs, collections.abc.Sequence): # if sequence of strings provided, wrap with Literal if all(isinstance(expr, basestring) for expr in exprs): exprs = map(Literal, exprs) @@ -3439,7 +3439,7 @@ def oneOf(strs, caseless=False, useRegex=True): symbols = [] if isinstance(strs, basestring): symbols = strs.split() - elif isinstance(strs, collections.Sequence): + elif isinstance(strs, collections.abc.Sequence): symbols = list(strs[:]) elif isinstance(strs, _generatorType): symbols = list(strs) diff --git a/tools/versioner.py b/tools/versioner.py index 6fb789248..03ad0b098 100644 --- a/tools/versioner.py +++ b/tools/versioner.py @@ -1,17 +1,30 @@ #! /usr/bin/env python -# # @BEGIN LICENSE # -# versioner.py: defines look-ahead auto-versioning from metadata.py +# Psi4: an open-source quantum chemistry software package +# +# Copyright (c) 2007-2022 The Psi4 Developers. +# +# The copyrights for code used from other parties are included in +# the corresponding files. # -# Copyright (c) 2017 The Psi4 Developers +# This file is part of PCMSolver. # -# All rights reserved. Use of this source code is governed by a -# BSD-style license that can be found in the LICENSE file. +# Psi4 is free software; you can redistribute it and/or modify +# it under the terms of the GNU Lesser General Public License as published by +# the Free Software Foundation, version 3. # -# @END LICENSE +# Psi4 is distributed in the hope that it will be useful, +# but WITHOUT ANY WARRANTY; without even the implied warranty of +# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the +# GNU Lesser General Public License for more details. # +# You should have received a copy of the GNU Lesser General Public License along +# with Psi4; if not, write to the Free Software Foundation, Inc., +# 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. +# + from __future__ import print_function import argparse @@ -275,7 +288,7 @@ def write_new_cmake_metafile(versdata, outfile='metadata.out.cmake'): write_basic_package_version_file( ${{WTO}}/${{PN}}ConfigVersion.cmake VERSION {ver} - COMPATIBILITY SameMajorVersion) + COMPATIBILITY SameMinorVersion) """ with open(os.path.abspath(outfile), 'w') as handle: