[improveCMakeScripts] Major Improvements to the CI mechanism (Closes #495)

Merging branch 'improveCMakeScripts'  into 'main'.

* MacOS:
  * Updated the build parameters for Mac CI-machines.
  * Added the 1st-order dependencies of the relatively-referenced Qt libraries (if any). [resolves #495]
  * Added a proper path for the man package on MacOS to prevent an error during package building.

* Python package: Changed the wheel producing command according to the latest pip documentation
to reduce the Python dependencies.

* Added a fatal error message in case `libformfactor` is not found.

Closes #495

See merge request !1499

.gitlab-ci.yml

 stages:
   - build
 
+# global variables
+variables:
+  GIT_DEPTH: "1"
+
 native_Debian_clang:
   tags: &native
   - Debian
@@ -14,6 +18,7 @@ native_Debian_clang:
     - clang --version
   stage: build
   script: &native_scr
+    - env
     - mkdir build
     - cd build
     - time cmake .. -DCMAKE_CXX_COMPILER_LAUNCHER=ccache -DBA_PY_PACKAGE=ON -DCMAKE_PREFIX_PATH=$QCMAKE -DZERO_TOLERANCE=ON
@@ -46,38 +51,42 @@ versiondocs:
     - hugo
     - cp -fr public/* ~www/ba/www/
 
-# mac10_15:
-#   tags:
-#   - macbuild3
-#   stage: build
-#   before_script:
-#     - export NPROC=3
-#   script:  &mac_script
-#     - export PYTHONPATH=$CI_PROJECT_DIR/build/lib:$PYTHONPATH
-#     - export NOPLOT=ON
-#     - export QTDIR=/usr/local/Cellar/qt/6.3.1_4
-#     - echo $PYTHONPATH
-#     - mkdir build
-#     - cd build
-#     - cmake .. -D CMAKE_PREFIX_PATH="$QTDIR/lib/cmake" -D CMAKE_CXX_COMPILER_LAUNCHER=ccache -DBA_APPLE_BUNDLE=ON -DCMAKE_OSX_DEPLOYMENT_TARGET=10.15 -DCMAKE_INSTALL_PREFIX=. -DBA_PY_PACKAGE=ON
-#     - make -j$NPROC
-#     - ctest -j3 --output-on-failure
-#     - zsh var/mk_pypack_macos.zsh
-#     - cpack .
-#   artifacts: &mac_artifacts
-#     paths:
-#     - build/*.dmg
-#     - build/PythonPackage/py*/wheel/*.whl
-#     expire_in: 10 days
-#
-# mac12_2:
-#   tags:
-#   - scgmac4
-#   stage: build
-#   before_script:
-#     - export NPROC=12
-#   script: *mac_script
-#   artifacts: *mac_artifacts
+mac_x64:
+  tags:
+  - mac_x64
+  stage: build
+  before_script:
+    # obtain nr of logical CPUs via `sysctl hw.logicalcpu`
+    - NPROC=6
+    - QTDIR=/usr/local/opt/qt
+  script:  &mac_script
+    - NOPLOT=ON
+    - OPTDIR="/Users/Shared/Software"
+    # print environmental variables
+    - env
+    - mkdir build
+    - cd build
+    - cmake .. -DCMAKE_PREFIX_PATH="$OPTDIR;$QTDIR/lib/cmake" -DCMAKE_BUILD_TYPE=Release -DCMAKE_CXX_COMPILER_LAUNCHER=ccache -DBA_APPLE_BUNDLE=ON -DCMAKE_OSX_DEPLOYMENT_TARGET=11 -DCMAKE_INSTALL_PREFIX=/tmp/ba -DBA_PY_PACKAGE=ON
+    - make -j$NPROC
+    - ctest -j3 --output-on-failure
+    - zsh var/mk_pypack_macos.zsh
+    - cpack .
+  artifacts: &mac_artifacts
+    paths:
+    - build/*.dmg
+    - build/PythonPackage/py*/wheel/*.whl
+    expire_in: 10 days
+
+mac_arm:
+  tags:
+  - mac_arm
+  stage: build
+  before_script:
+    - QTDIR="/opt/homebrew/opt/qt"
+    # obtain nr of logical CPUs via `sysctl hw.logicalcpu`
+    - NPROC=14
+  script: *mac_script
+  artifacts: *mac_artifacts
 
 # To test the GitLab process _locally_ on MS-Windows with powershell (pwsh),
 # go to the root Git directory, and run:

Doc/man/CMakeLists.txt

@@ -24,7 +24,7 @@ add_custom_command(
     DEPENDS bornagain.pod
 )
 
-install(FILES ${MAN_DIR}/bornagain.1 DESTINATION ${CMAKE_INSTALL_PREFIX}/man/man1)
+install(FILES ${MAN_DIR}/bornagain.1 DESTINATION "${destination_man}")
 
 set(BUILD_MAN_DIR "${MAN_DIR}" CACHE INTERNAL "Man directory")
 set(POD2MAN_EXECUTABLE "${POD2MAN}" CACHE INTERNAL "POD2MAN executable")

cmake/BornAgain/BuildLog.cmake

@@ -137,6 +137,7 @@ file(APPEND "${log}"
     "    share (destination_share) = ${destination_share}\n"
     "    examples (destination_examples) = ${destination_examples}\n"
     "    images (destination_images) = ${destination_images}\n"
+    "    man pages (destination_man) = ${destination_man}\n"
     "    installer name (CPACK_PACKAGE_FILE_NAME) = ${CPACK_PACKAGE_FILE_NAME}\n"
     "    source package name (CPACK_SOURCE_PACKAGE_FILE_NAME) = ${CPACK_SOURCE_PACKAGE_FILE_NAME}\n"
     "    package components (CPACK_COMPONENTS_ALL) = ${CPACK_COMPONENTS_ALL}\n"

cmake/BornAgain/Dependences.cmake

@@ -14,6 +14,10 @@ get_target_property(formfactor_LIBRARIES formfactor IMPORTED_LOCATION_RELEASE)
 if(NOT formfactor_LIBRARIES)
     get_target_property(formfactor_LIBRARIES formfactor IMPORTED_LOCATION_NOCONFIG)
 endif()
+if(NOT formfactor_LIBRARIES)
+    message(FATAL_ERROR "Formfactor libraries not found (path: '${formfactor_DIR}').")
+endif()
+
 set(FormFactor_LIBRARIES ${formfactor_LIBRARIES} CACHE INTERNAL "")
 
 message(STATUS "formfactor: found=${formfactor_FOUND}, include_dirs=${formfactor_INCLUDE_DIR}, "

cmake/BornAgain/Directories.cmake

@@ -89,6 +89,10 @@ set(destination_include ${destination_root}include/${destination_suffix}/)
 set(destination_share ${destination_root}share/${destination_suffix}/)
 set(destination_examples ${destination_share}Examples/)
 set(destination_images ${destination_share}Images/)
+set(destination_man ${destination_share}man/man1)
+if(LINUX)
+    set(destination_man ${CMAKE_INSTALL_PREFIX}/man/man1)
+endif(LINUX)
 
 list(APPEND dstIds bin lib include share examples images)
 

cmake/multipython/MakePythonWheel.cmake

@@ -56,9 +56,8 @@ function(make_python_wheel)
     else()
         # MS-Windows
         add_custom_target(BAPyWheel ALL
-            COMMAND ${__Py3_EXECUTABLE} -m build --wheel -n -o ${BA_PY_PACKAGE_WHEEL_DIR}
+            COMMAND ${__Py3_EXECUTABLE} -m pip wheel ${BA_PY_OUTPUT_DIR} --no-deps --wheel ${BA_PY_PACKAGE_WHEEL_DIR}
             COMMENT "${header} Making the Python wheel..."
-            WORKING_DIRECTORY ${BA_PY_OUTPUT_DIR}
             )
     endif()
 

cmake/multipython/PyDependences.cmake

@@ -21,7 +21,7 @@ message(STATUS "Python package destination directory: ${destination_pypackage}")
 
 # check presence of some Python modules
 message(STATUS "Searching required Python packages...")
-foreach(pkg build numpy setuptools wheel matplotlib)
+foreach(pkg pip numpy matplotlib)
     message(STATUS "Python package ${pkg}")
     execute_process(
         COMMAND ${Python3_EXECUTABLE}

devtools/deploy/linux/mk_pypack_linux.sh.in

@@ -127,9 +127,7 @@ done
 
 # make the Python wheel
 echo "$TITLE: Making the Python wheel..."
-pushd "$pyoutdir"
-$PYTHON -m build --wheel -n -o "$wheeldir"
-popd
+$PYTHON -m pip wheel "$pyoutdir" --no-deps --wheel "$wheeldir"
 
 # final message
 echo "$TITLE: Done."

devtools/deploy/mac/adjust_mac_bundle.zsh.in

@@ -159,7 +159,7 @@ done
 declare -a abs_refs rel_refs py_refs fw_refs
 for ref in $refs_all; do
     if [[ $ref = @* ]]; then
-	    # relative reference; eg. '@rpath/foo.dylib'
+        # relative reference; eg. '@rpath/foo.dylib'
         rel_refs+=( "$ref" )
     elif [[ $ref = *[Pp]ython* ]] && [[ ! $ref = *boost* ]]; then
         # Python dependencies must be considered separately (exclude 'libboost_python')
@@ -179,11 +179,13 @@ done
 dst="$pkg_root/$pkgbindir[exlib]"
 mkdir -p "$dst"
 echo "$TITLE: Copy external libraries to '$dst':"
+# pkglib: map{ library reference => destination full-path }
+# e.g., /usr/local/opt/libA.dylib => /pkg-root/Library/libA.dylib
 declare -A pkglib
 for ref in $abs_refs; do
     pth="$dst/${ref##*/}"  # destination full-path
     pkglib[$ref]="$pth"
-    cp -fv "$ref" "$pth"
+    cp -fnv "$ref" "$pth"
 done
 unset dst
 
@@ -198,11 +200,11 @@ framework_re='s;.+/([^/]+\.[Ff]ramework/[^[:blank:]]+).*;\1;'
 for ref in $fw_refs; do
     # only Qt framework is considered
     if [[ ${ref##*/} = Qt* ]]; then
-	    # eg., copy '/opt/qt@5/lib/QtGui.framework/Versions/5/QtGui'
-	    # to '<Frameworks>/Qt/QtGui.framework/Versions/5/QtGui'
+        # eg., copy '/opt/qt@5/lib/QtGui.framework/Versions/5/QtGui'
+        # to '<Frameworks>/Qt/QtGui.framework/Versions/5/QtGui'
         qtfwdir0=$(echo $ref | sed -E $framework_re)
-	    pth="$qt_fwdir/$qtfwdir0"
-	    mkdir -p "${pth%/*}"
+        pth="$qt_fwdir/$qtfwdir0"
+        mkdir -p "${pth%/*}"
         pkglib[$ref]="$pth"
         cp -fnv "$ref" "$pth"
     else
@@ -211,9 +213,9 @@ for ref in $fw_refs; do
 done
 
 # Add relatively-referenced Qt framework;
-# e.g., QtDBus framework referenced as
-# `@rpath/QtDBus.framework/Versions/A/QtDBus`
+# e.g., QtDBus framework referenced as `@rpath/QtDBus.framework/Versions/A/QtDBus`
 echo "$TITLE: Add relatively-referenced Qt framework libraries:"
+qt_exlib_dir="$pkg_root/$pkgbindir[exlib]"
 for ref in $rel_refs; do
     # select only Qt relative references
     if [[ ${ref##*/} = Qt* ]]; then
@@ -221,8 +223,30 @@ for ref in $rel_refs; do
        ref_qt=${ref/@rpath\//}
        qt_src="$qt_framework_root/lib/$ref_qt"
        qt_dst="$qt_fwdir/$ref_qt"
-       mkdir -p "${qt_dst%/*}"
+       qt_dst_dir="${qt_dst%/*}"
+       pkglib["REL-$qt_dst"]="$qt_dst"
+       mkdir -p "$qt_dst_dir"
        cp -fnv "$qt_src" "$qt_dst"
+
+       # add the *1st-order optional* dependencies of the Qt library (if any)
+       # to the same folder as that of the Qt library
+       deps1=$(dylib_deps "$qt_dst" | sed -nE "s;[[:blank:]]*(/.+/opt/.+)[[:blank:]]\(.+;\1;p")
+       has_deps=0
+       for libpth_ in ${=deps1}; do
+           has_deps=1
+           # '/usr/local/opt/libA.1.2.dylib' => 'libA.1.2.dylib'
+           libname_="${libpth_##*/}"
+           # cp the library to the external library dir of the package
+           libdst="$qt_exlib_dir/$libname_"
+           pkglib[$libpth_]="$libdst"
+           cp -fnv "$libpth_" "$libdst"
+           # change the reference in the Qt library
+           # install_name_tool "$qt_dst" -change "$libpth_" "@rpath/$libname_"
+       done
+       # if the Qt library had any extra dependencies, add a proper RPATH
+       # if [[ $has_deps ]]; then
+       #     install_name_tool "$qt_dst" -add_rpath "@loader_path"
+       # fi
     fi
 done
 
@@ -230,6 +254,7 @@ done
 declare -ar pkgbins=( $(rm_list_duplicates ${(v)pkglib} $libs_init "$main_exe") )
 
 echo "$TITLE: All binaries:"
+# a sorted list of binaries
 for lib in ${(o)pkgbins}; do
     echo "  + '${lib#$pkg_root/}'"
 done
@@ -241,37 +266,37 @@ declare -A rpaths bin_deps
 for bin in $pkgbins; do
     declare -A rpaths_tmp=()
     bin_deps[$bin]=$(dylib_deps "$bin")
-	bindir="${bin%/*}"  # abs. dir of target binary
+    bindir="${bin%/*}"  # abs. dir of target binary
     # abspth0 = original abs. full-path of the library
     # abspth_pkg = abs. full-path of the library in the package
     for abspth0 abspth_pkg in ${(kv)pkglib}; do
         # if the binary does not depend on the current library, do nothing
         [[ "$bin_deps[$bin]" != *"$abspth0"* ]] && continue
-	    # change the library reference in the binary
-	    # eg. '/usr/local/opt/lib/libA.5.dylib' => '@rpath/libA.5.dylib'
-	    libname="${abspth_pkg##*/}"  # library filename
-	    libdir="${abspth_pkg%/*}" # abs. dir of the referenced library
-	    librelpth=""  # rel. path of the library
+        # change the library reference in the binary
+        # eg. '/usr/local/opt/lib/libA.5.dylib' => '@rpath/libA.5.dylib'
+        libname="${abspth_pkg##*/}"  # library filename
+        libdir="${abspth_pkg%/*}" # abs. dir of the referenced library
+        librelpth=""  # rel. path of the library
         # make a framework-relative path for the Qt framework libraries
         # eg. '/opt/qt@5/lib/QtGui.framework/Versions/5/QtGui'
         #  => 'QtGui.framework/Versions/5'
-	    if [[ $libname == Qt* ]]; then
+        if [[ $libname == Qt* ]]; then
             # rm framework root dir from the beginning;
             # eg. '/opt/qt@5/lib/QtGui.framework/Versions/5/QtGui'
             #  => 'QtGui.framework/Versions/5/QtGui'
-	        librelpth="${abspth_pkg#$qt_fwdir/}"
+            librelpth="${abspth_pkg#$qt_fwdir/}"
             # rm filename from the end
             # eg. 'QtGui.framework/Versions/5/QtGui'
             #  => 'QtGui.framework/Versions/5'
-	        librelpth="${librelpth%/*}"
-	    fi
-	    ref_new="$libname"
-	    # prepend with library rel. path, if any
-	    [[ ! -z $librelpth ]] && ref_new="$librelpth/$ref_new"
+            librelpth="${librelpth%/*}"
+        fi
+        ref_new="$libname"
+        # prepend with library rel. path, if any
+        [[ ! -z $librelpth ]] && ref_new="$librelpth/$ref_new"
         install_name_tool "$bin" -change "$abspth0" "@rpath/$ref_new"
-	    # make a proper RPATH to refer to the library within the package
-	    # eg. '@loader_path/../Frameworks/Qt/'
-	    rpath="@loader_path/"$(find_rpath "$bindir" "$libdir" "$librelpth")
+        # make a proper RPATH to refer to the library within the package
+        # eg. '@loader_path/../Frameworks/Qt/'
+        rpath="@loader_path/"$(find_rpath "$bindir" "$libdir" "$librelpth")
         rpaths_tmp[$rpath]=1
     done
     # store a duplicateless list of rpaths needed for the binary,

devtools/deploy/mac/mk_pypack_macos.zsh.in

@@ -380,9 +380,7 @@ done
 
 # make the Python wheel
 echo "$TITLE: Making the Python wheel..."
-pushd "$pyoutdir"
-eval $PYTHON -m build --wheel -n -o "$wheeldir"
-popd
+eval $PYTHON -m pip wheel "$pyoutdir" --no-deps --wheel "$wheeldir"
 
 #-- final message
 echo "$TITLE: Done."

hugo/content/installation/building/unix/third-party.md

@@ -16,7 +16,7 @@ Required software:
 * `libtiff >=4.0.2`
 * `libcerf >=1.14` (complex error function, maintained by us)
 * `python3 python3-dev`
-* `python3-build python3-setuptools python3-wheel python3-numpy python3-matplotlib`
+* `python3-pip python3-numpy python3-matplotlib`
 * `python3-lmfit` (optional, for some fit scripts)
 * `boost >= 1.65` (see note below)
 * `Qt5 >=5.5.1` (required modules are listed below)

hugo/content/installation/building/windows/index.md

@@ -44,10 +44,10 @@ Once Python is set up correctly, install `numpy`. Therefore open a PowerShell an
 py -m pip install numpy
 ```
 
-Analogously install `matplotlib`, `setuptools`, `build` and `wheel` with
+Analogously install `matplotlib` with
 
 ```
-py -m pip install matplotlib setuptools build wheel
+py -m pip install matplotlib
 ```
 
 #### NSIS (for packaging only)