Merge pull request #1002 from jwuttke/cerf

Replace ThirdParty/Core/Faddeeva by dependence on our libcerf

.github/workflows/ba-linux.yml

@@ -21,13 +21,13 @@ name: Linux
 
 on:
   push:
-    branches: [ master, develop]    
-    paths-ignore: 
-      - 'Doc/**'    
+    branches: [ master, develop]
+    paths-ignore:
+      - 'Doc/**'
   pull_request:
     branches: [ master, develop ]
-    paths-ignore: 
-      - 'Doc/**'    
+    paths-ignore:
+      - 'Doc/**'
 
 jobs:
   build:
@@ -39,9 +39,9 @@ jobs:
 
     steps:
     - uses: actions/checkout@v2
-      with: 
-        submodules: true    
-    
+      with:
+        submodules: true
+
     - name: Set up Python ${{ matrix.python-version }}
       uses: actions/setup-python@v1
       with:
@@ -51,7 +51,7 @@ jobs:
       run: |
         sudo apt-get update
         sudo apt-get install -y build-essential\
-          gfortran cmake libgsl-dev libboost-all-dev libfftw3-dev libtiff5-dev \
+          gfortran cmake libgsl-dev libboost-all-dev libfftw3-dev libtiff5-dev libcerf-dev \
           qt5-default libqt5designercomponents5 qttools5-dev libqt5svg5-dev \
           ccache
     - name: Install Python packages
@@ -59,14 +59,14 @@ jobs:
         python -m pip install --upgrade pip
         python -m pip install wheel setuptools
         python -m pip install numpy matplotlib
-        
+
     - name: Prepare ccache timestamp
       id: ccache_cache_timestamp
       shell: cmake -P {0}
       run: |
         string(TIMESTAMP current_date "%Y-%m-%d-%H;%M;%S" UTC)
         message("::set-output name=timestamp::${current_date}")
-        
+
     - name: ccache cache files for BornAgain
       uses: actions/cache@v1.1.0
       with:
@@ -74,7 +74,7 @@ jobs:
         key: ba-linux-ccache-${{ steps.ccache_cache_timestamp.outputs.timestamp }}
         restore-keys: |
           ba-linux-ccache-
-          
+
     - name: Build BornAgain
       env:
         CCACHE_DIR: $GITHUB_WORKSPACE/.ccache
@@ -94,17 +94,17 @@ jobs:
       if: success()
       with:
          name: BornAgainTar
-         path: ./build/BornAgain-*.tar.gz  
+         path: ./build/BornAgain-*.tar.gz
 
     - name: Testing
       run: |
         cd $GITHUB_WORKSPACE/build
         ccache -s
         ctest -LE Fullcheck --output-on-failure
-        
+
     - name: Upload test logs
       uses: actions/upload-artifact@v2
       if: failure()
       with:
          name: LastTest.log
-         path: ./build/Testing/Temporary/LastTest.log  
+         path: ./build/Testing/Temporary/LastTest.log

.github/workflows/ba-macos.yml

@@ -21,13 +21,13 @@ name: MacOS
 
 on:
   push:
-    branches: [ master, develop]    
-    paths-ignore: 
-      - 'Doc/**'    
+    branches: [ master, develop]
+    paths-ignore:
+      - 'Doc/**'
   pull_request:
     branches: [ master, develop ]
-    paths-ignore: 
-      - 'Doc/**'    
+    paths-ignore:
+      - 'Doc/**'
 
 jobs:
   build:
@@ -39,9 +39,9 @@ jobs:
 
     steps:
     - uses: actions/checkout@v2
-      with: 
-        submodules: true    
-    
+      with:
+        submodules: true
+
     - name: Set up Python ${{ matrix.python-version }}
       uses: actions/setup-python@v1
       with:
@@ -49,7 +49,7 @@ jobs:
 
     - name: setup dependencies
       run: |
-        brew install cmake fftw gsl boost qt5 libtiff ccache
+        brew install cmake fftw gsl boost qt5 libtiff libcerf ccache
         echo "Qt5 is installed to"
         echo $QTDIR
     - name: Install Python packages
@@ -57,14 +57,14 @@ jobs:
         python -m pip install --upgrade pip
         python -m pip install wheel setuptools
         python -m pip install numpy scipy matplotlib
-        
+
     - name: Prepare ccache timestamp
       id: ccache_cache_timestamp
       shell: cmake -P {0}
       run: |
         string(TIMESTAMP current_date "%Y-%m-%d-%H;%M;%S" UTC)
         message("::set-output name=timestamp::${current_date}")
-        
+
     - name: ccache cache files for BornAgain
       uses: actions/cache@v1.1.0
       with:
@@ -72,7 +72,7 @@ jobs:
         key: ba-macos-ccache-${{ steps.ccache_cache_timestamp.outputs.timestamp }}
         restore-keys: |
           ba-macos-ccache-
-          
+
     - name: Build BornAgain
       env:
         CCACHE_DIR: $GITHUB_WORKSPACE/.ccache
@@ -94,21 +94,21 @@ jobs:
           -DCMAKE_C_COMPILER_LAUNCHER=ccache \
           -DCMAKE_CXX_COMPILER_LAUNCHER=ccache ../
         make -j4
-        
+
     - name: Testing
       shell: bash
       run: |
         cd $GITHUB_WORKSPACE/build
         ccache -s
         ctest -LE Fullcheck --output-on-failure
-        
+
     - name: Upload test logs
       uses: actions/upload-artifact@v2
       if: failure()
       with:
          name: LastTest.log
          path: ./build/Testing/Temporary/LastTest.log
-         
+
     - name: Build package
       env:
         QTDIR: /usr/local/opt/qt
@@ -117,7 +117,7 @@ jobs:
         cd $GITHUB_WORKSPACE/build
         echo $QTDIR
         cpack -V
-        
+
     - name: Upload package
       uses: actions/upload-artifact@v2
       if: success()

.github/workflows/ba-windows.yml

@@ -59,12 +59,13 @@ jobs:
         cd ${{github.workspace}}
         mkdir deps
         Get-Date -Format G
-        wget http://apps.jcns.fz-juelich.de/src/WinLibs/bornagain_deps_20200703.zip -O ${{runner.temp}}\local_x64.zip
+        wget http://apps.jcns.fz-juelich.de/src/WinLibs/bornagain_deps_200710.zip -O ${{runner.temp}}\dependencies.zip
         Get-Date -Format G
-        7z x ${{runner.temp}}\local_x64.zip -odeps
+        7z x ${{runner.temp}}\dependencies.zip -odeps
         Get-Date -Format G
         dir deps
-        dir deps/local_x64
+        dir deps/include
+        dir deps/lib
 
     - name: Install Python packages
       run: |
@@ -130,7 +131,7 @@ jobs:
         CCACHE_MAXSIZE: "1000M"
       run: |
         call "C:/Program Files (x86)/Microsoft Visual Studio/2019/Enterprise/VC/Auxiliary/Build/vcvars64.bat"
-        set OPTLIBS=${{github.workspace}}\deps\local_x64
+        set OPTLIBS=${{github.workspace}}\deps
         set QTDIR=${{github.workspace}}\qt5\Qt\5.14.2\msvc2017_64
         set PATH=${{github.workspace}};%OPTLIBS%\lib;%QTDIR%\bin;%PATH%
         cd ${{github.workspace}}
@@ -147,7 +148,7 @@ jobs:
       run: |
         echo %QTDIR%
         echo %OPTLIBS%
-        set OPTLIBS=${{github.workspace}}\deps\local_x64
+        set OPTLIBS=${{github.workspace}}\deps
         set PATH=%OPTLIBS%\lib;%QTDIR%\bin;%PATH%
         echo %PATH%
         cd ${{github.workspace}}\build

CMakeLists.txt

@@ -17,8 +17,10 @@ project(BornAgain
     VERSION 1.17.99
     DESCRIPTION "BornAgain: simulate and fit scattering at grazing incidence."
     HOMEPAGE_URL https://www.bornagainproject.org
-    LANGUAGES CXX)
+    ) # LANGUAGES CXX)
+     # TODO modernize FindCerf to get rid of AssertLibraryFunction to restore restriction to CXX
 
+set(CMAKE_C_STANDARD 11)
 set(CMAKE_CXX_STANDARD 14)
 
 include(CTest) # equivalent to "enable_testing() ???

Core/CMakeLists.txt

@@ -12,7 +12,10 @@ readability-*,-readability-braces-around-statements,modernize-*")
 endif()
 
 # --- source and include files ---------
-file(GLOB source_files "*/*.cpp")
+file(GLOB source_files "*/*.cpp" )
+if((NOT Cerf_IS_CPP) AND (NOT WIN32)) # TEMPORARY
+    list(APPEND source_files ${CMAKE_SOURCE_DIR}/ThirdParty/Core/cerf_wrapper/cerf_ptr.c)
+endif()
 file(GLOB include_files "*/*.h")
 
 if(BORNAGAIN_PYTHON)
@@ -117,6 +120,9 @@ endif()
 
 
 # --- making library ---------
+if(${Cerf_IS_CPP})
+    set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -DCERF_AS_CPP=ON")
+endif()
 add_library(${library_name} SHARED ${source_files})
 
 set_target_properties(${library_name} PROPERTIES PREFIX ${libprefix} SUFFIX ${libsuffix})
@@ -145,10 +151,12 @@ endif()
 target_include_directories(${library_name}
     PUBLIC ${CMAKE_SOURCE_DIR} ${Boost_INCLUDE_DIRS} ${FFTW3_INCLUDE_DIR} ${GSL_INCLUDE_DIR}
     ${tspectrum_INCLUDE_DIR}
+    ${Cerf_INCLUDE_DIR}
+    ${CMAKE_SOURCE_DIR}/ThirdParty/Core/cerf_wrapper # TEMPORARY
     SYSTEM PUBLIC ${EIGEN3_INCLUDE_DIR}
-    PRIVATE ${Faddeeva_INCLUDE_DIR})
+    )
 target_link_libraries(${library_name} ${Boost_LIBRARIES} ${FFTW3_LIBRARIES} ${GSL_LIBRARIES}
-    ${Faddeeva_LIBRARY} ${tspectrum_LIBRARY})
+    ${tspectrum_LIBRARY} ${Cerf_LIBRARIES})
 
 if(BORNAGAIN_MPI)
     add_definitions(-DBORNAGAIN_MPI)

Core/Computation/RoughMultiLayerComputation.cpp

@@ -23,7 +23,8 @@
 #include "Core/Multilayer/LayerRoughness.h"
 #include "Core/Multilayer/MultiLayer.h"
 #include "Core/SimulationElement/SimulationElement.h"
-#include "Faddeeva.hh"
+
+#include <cerf>
 
 // Diffuse scattering from rough interfaces is modelled after
 // Phys. Rev. B, vol. 51 (4), p. 2311 (1995)
@@ -32,11 +33,11 @@ namespace
 {
 complex_t h_plus(complex_t z)
 {
-    return 0.5 * Faddeeva::erfcx(-mul_I(z) / std::sqrt(2.0));
+    return 0.5 * cerfcx(-mul_I(z) / std::sqrt(2.0));
 }
 complex_t h_min(complex_t z)
 {
-    return 0.5 * Faddeeva::erfcx(mul_I(z) / std::sqrt(2.0));
+    return 0.5 * cerfcx(mul_I(z) / std::sqrt(2.0));
 }
 } // namespace
 

ThirdParty/Core/CMakeLists.txt

-add_subdirectory(Faddeeva)
 add_subdirectory(tspectrum)

ThirdParty/Core/Faddeeva/CMakeLists.txt

-############################################################################
-# CMakeLists.txt file for building libFaddeeva package
-############################################################################
-set(library_name Faddeeva)
-
-# --- source and include files ---------
-set(include_dirs
-    ${CMAKE_CURRENT_SOURCE_DIR}
-)
-include_directories(${include_dirs})
-
-file(GLOB source_files "*.cc")
-
-file(GLOB include_files "*.hh")
-
-# --- making library ------------
-add_library(
-    ${library_name}
-    STATIC
-    ${source_files} ${include_files}
-)
-set(${library_name}_INCLUDE_DIR ${include_dirs} CACHE INTERNAL "")
-set(${library_name}_LIBRARY ${library_name} CACHE INTERNAL "")

ThirdParty/Core/Faddeeva/Faddeeva.hh

-/* Copyright (c) 2012 Massachusetts Institute of Technology
- * 
- * Permission is hereby granted, free of charge, to any person obtaining
- * a copy of this software and associated documentation files (the
- * "Software"), to deal in the Software without restriction, including
- * without limitation the rights to use, copy, modify, merge, publish,
- * distribute, sublicense, and/or sell copies of the Software, and to
- * permit persons to whom the Software is furnished to do so, subject to
- * the following conditions:
- * 
- * The above copyright notice and this permission notice shall be
- * included in all copies or substantial portions of the Software.
- * 
- * THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND,
- * EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF
- * MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND
- * NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE
- * LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION
- * OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION
- * WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. 
- */
-
-/* Available at: http://ab-initio.mit.edu/Faddeeva
-
-   Header file for Faddeeva.cc; see that file for more information. */
-
-#ifndef FADDEEVA_HH
-#define FADDEEVA_HH 1
-
-#include <complex>
-
-namespace Faddeeva {
-
-// compute w(z) = exp(-z^2) erfc(-iz) [ Faddeeva / scaled complex error func ]
-extern std::complex<double> w(std::complex<double> z,double relerr=0);
-extern double w_im(double x); // special-case code for Im[w(x)] of real x
-
-// Various functions that we can compute with the help of w(z)
-
-// compute erfcx(z) = exp(z^2) erfc(z)
-extern std::complex<double> erfcx(std::complex<double> z, double relerr=0);
-extern double erfcx(double x); // special case for real x
-
-// compute erf(z), the error function of complex arguments
-extern std::complex<double> erf(std::complex<double> z, double relerr=0);
-extern double erf(double x); // special case for real x
-
-// compute erfi(z) = -i erf(iz), the imaginary error function
-extern std::complex<double> erfi(std::complex<double> z, double relerr=0);
-extern double erfi(double x); // special case for real x
-
-// compute erfc(z) = 1 - erf(z), the complementary error function
-extern std::complex<double> erfc(std::complex<double> z, double relerr=0);
-extern double erfc(double x); // special case for real x
-
-// compute Dawson(z) = sqrt(pi)/2  *  exp(-z^2) * erfi(z)
-extern std::complex<double> Dawson(std::complex<double> z, double relerr=0);
-extern double Dawson(double x); // special case for real x
-
-} // namespace Faddeeva
-
-#endif // FADDEEVA_HH

ThirdParty/Core/cerf_wrapper/cerf

+// -*- mode: c++ -*-
+
+#include <cerf_ptr.h>
+
+std::complex<double> cerfcx(std::complex<double> z) {
+    std::complex<double> ret;
+    p_cerfcx((void*)&z, (void*)&ret);
+    return ret;
+}

ThirdParty/Core/cerf_wrapper/cerf_ptr.c

+#include "cerf_ptr.h"
+#include "cerf.h"
+#include <string.h>
+
+void p_cerfcx(void* z, void* ret)
+{
+    double _Complex val = cerfcx(*(double _Complex*)(z));
+    memcpy(ret, &val, 2*sizeof(double));
+}

ThirdParty/Core/cerf_wrapper/cerf_ptr.h

+#ifdef __cplusplus
+extern "C" {
+#endif
+
+void p_cerfcx(void* z, void* ret);
+
+#ifdef __cplusplus
+} // extern "C"
+#endif

cmake/extensions/AssertLibraryFunction.cmake

+#.rst:
+# AssertLibraryFunction
+# ---------------------
+#
+# ASSERT_LIBRARY_FUNCTION checks whether given libraries contain
+# a given function. If this is not the case, a fatal error is raised.
+#
+# CHECK_LIBRARY_EXISTS(LIBNAME FUNCTION LOCATION)
+#
+# ::
+#
+#   LIBNAME  - library name(case sensitive)
+#   FUNCTION - name of the function to be searched in ${LIBNAME}_LIBRARIES
+#   LOCATION - where the library should be found(if unsure, use "")
+#
+#
+# The following variables may be set before calling this macro to modify
+# the way the check is run:
+#
+# ::
+#
+#   CMAKE_REQUIRED_FLAGS = string of compile command line flags
+#   CMAKE_REQUIRED_DEFINITIONS = list of macros to define(-DFOO=bar)
+#   CMAKE_REQUIRED_LIBRARIES = list of libraries to link
+#   CMAKE_REQUIRED_QUIET = execute quietly without messages
+#
+# This function is meant to be used in Find<Package>.cmake modules,
+# which in turn should be called through
+#
+# ::
+#
+#   find_package(<Package> [QUIET] [REQUIRED])
+#
+# Within a Find<Package>.cmake module, find_package_handle_standard_args
+# must be called before any call of ASSERT_LIBRARY_FUNCTION.
+# Typically, Find<Package>.cmake looks like the following:
+#
+# ::
+# 
+#   find_path(<Package>_INCLUDE_DIR <include_file>)
+#   find_library(<Package>_LIBRARIES NAMES <library_name> <Package>)
+#   
+#   include(FindPackageHandleStandardArgs)
+#   find_package_handle_standard_args(<Package> DEFAULT_MSG <Package>_LIBRARIES <Package>_INCLUDE_DIR)
+#   
+#   include(AssertLibraryFunction)
+#   assert_library_function(<Package> <function_name> "")
+#   
+#   mark_as_advanced(<Package>_INCLUDE_DIR <Package>_LIBRARIES)
+#   
+# The result of ASSERT_LIBRARY_FUNCTION is cached in a variable named
+# ${LIBNAME}_${FUNCTION}.
+
+#=============================================================================
+# Based on CheckLibrariesExists(Copyright 2002-2009 Kitware, Inc.)
+# Author: Joachim Wuttke(Copyright 2015 Forschungszentrum Jülich)
+# License: BSD(see cmake License for details)
+#=============================================================================
+
+
+macro(alf_status_message _msg)
+    if( ${LIBNAME}_FIND_QUIETLY )
+    else()
+        message(STATUS ${_msg})
+    endif()
+endmacro()
+
+function(ASSERT_LIBRARY_FUNCTION LIBNAME FUNCTION LOCATION)
+    set(LIBRARY ${${LIBNAME}_LIBRARIES})
+    set(VARIABLE ${LIBNAME}_${FUNCTION})
+    set(_MSG "Search ${FUNCTION} in ${LIBRARY}")
+    if(DEFINED "${VARIABLE}")
+        if(${${VARIABLE}})
+            alf_status_message("${_MSG} -- cached")
+            return()
+        endif()
+    endif()
+    alf_status_message("Search ${FUNCTION} in ${LIBRARY}")
+    set(MACRO_CHECK_LIBRARY_EXISTS_DEFINITION
+        "-DCHECK_FUNCTION_EXISTS=${FUNCTION} ${CMAKE_REQUIRED_FLAGS}")
+    set(CHECK_LIBRARY_EXISTS_LIBRARIES ${LIBRARY})
+    if(CMAKE_REQUIRED_LIBRARIES)
+        set(CHECK_LIBRARY_EXISTS_LIBRARIES
+            ${CHECK_LIBRARY_EXISTS_LIBRARIES} ${CMAKE_REQUIRED_LIBRARIES})
+    endif()
+    try_compile(COMPILE_OK
+        ${CMAKE_BINARY_DIR}
+        ${CMAKE_ROOT}/Modules/CheckFunctionExists.c
+        COMPILE_DEFINITIONS ${CMAKE_REQUIRED_DEFINITIONS}
+        LINK_LIBRARIES ${CHECK_LIBRARY_EXISTS_LIBRARIES}
+        CMAKE_FLAGS
+        -DCOMPILE_DEFINITIONS:STRING=${MACRO_CHECK_LIBRARY_EXISTS_DEFINITION}
+        -DLINK_DIRECTORIES:STRING=${LOCATION}
+        OUTPUT_VARIABLE OUTPUT)
+
+    if(${COMPILE_OK})
+        if(NOT CMAKE_REQUIRED_QUIET)
+            alf_status_message("${_MSG} -- found")
+        endif()
+        set(${VARIABLE} 1 CACHE INTERNAL "Library ${LIBRARY} has ${function}")
+        file(APPEND ${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeOutput.log
+            "Determining if the function ${FUNCTION} exists in the ${LIBRARY} "
+            "passed with the following output:\n"
+            "${OUTPUT}\n\n")
+    else()
+        set(${VARIABLE} "" CACHE INTERNAL "Library ${LIBRARY} has no ${function}")
+        file(APPEND ${CMAKE_BINARY_DIR}${CMAKE_FILES_DIRECTORY}/CMakeError.log
+            "Determining if the function ${FUNCTION} exists in the ${LIBRARY} "
+            "failed with the following output:\n"
+            "${OUTPUT}\n\n")
+        if( ${LIBNAME}_FIND_REQUIRED )
+            message(FATAL_ERROR "${_MSG} -- not found")
+        else()
+            alf_status_message("${_MSG} -- not found")
+        endif()
+    endif()
+endfunction()

cmake/extensions/FindCerf.cmake

+# Find libcerf or libcerfcpp
+#
+# Usage:
+#   find_package(Cerf [REQUIRED] [QUIET])
+#
+# Sets the following variables:
+#   - Cerf_FOUND        .. true if library is found
+#   - Cerf_LIBRARIES    .. full path to library
+#   - Cerf_INCLUDE_DIR  .. full path to include directory
+#   - Cerf_IS_CPP       .. true if C++ version of library is used
+#
+# Copyright 2018 Joachim Wuttke, Forschungszentrum Jülich.
+# Redistribution permitted.
+
+set(Cerf_ULTIMATELY_REQUIRED ${Cerf_FIND_REQUIRED})
+set(Cerf_FIND_REQUIRED FALSE)
+
+find_path(Cerf_INCLUDE_DIR cerf.h)
+find_library(Cerf_LIBRARIES NAMES cerf libcerf)
+
+include(FindPackageHandleStandardArgs)
+find_package_handle_standard_args(Cerf DEFAULT_MSG Cerf_LIBRARIES Cerf_INCLUDE_DIR)
+
+if(Cerf_FOUND)
+   message(STATUS "Found libcerf, version ${Cerf_VERSION}, lib=${Cerf_LIBRARIES},\
+ include_dir=${Cerf_INCLUDE_DIR}.")
+   set(Cerf_IS_CPP OFF)
+endif()
+
+mark_as_advanced(Cerf_INCLUDE_DIR Cerf_LIBRARIES)
+
+include(AssertLibraryFunction)
+assert_library_function(Cerf cerf "")
+assert_library_function(Cerf dawson "")
+assert_library_function(Cerf voigt "")

cmake/modules/SearchInstalledSoftware.cmake

 # Search for installed software required by BornAgain
 
+if(WIN32)
+    set(CMAKE_FIND_LIBRARY_SUFFIXES .dll.a .lib)
+endif()
+
 find_package(Threads REQUIRED)
 find_package(FFTW3 REQUIRED)
 find_package(GSL REQUIRED)
 
+find_package(Cerf REQUIRED)
+message(STATUS "Cerf found=${Cerf_FOUND} lib=${Cerf_LIBRARIES} inc=${Cerf_INCLUDE_DIR} version={Cerf_VERSION}")
 # --- Eigen3 is a git submodule; throw an error if submodule is not initialized ---
 set(EIGEN3_INCLUDE_DIR "${CMAKE_SOURCE_DIR}/ThirdParty/Core/eigen3" CACHE INTERNAL "")
 if( NOT EXISTS "${EIGEN3_INCLUDE_DIR}/.git" )