Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable

.github/workflows/build.yml

@@ -28,7 +28,7 @@ jobs:
       run: >
         sudo apt-get update &&
         sudo apt-get install lsb-release wget software-properties-common &&
-        wget -O /tmp/llvm.sh https://apt.llvm.org/llvm.sh && sudo chmod +x /tmp/llvm.sh && sudo /tmp/llvm.sh 13 &&
+        wget -O /tmp/llvm.sh https://apt.llvm.org/llvm.sh && sudo chmod +x /tmp/llvm.sh && sudo /tmp/llvm.sh 15 &&
         sudo apt-get install
         clang-15
         g++-12
@@ -67,6 +67,11 @@ jobs:
         pip3 install mako numpy scipy mpi4py
         pip3 install -r requirements.txt
 
+    - name: add clang cxxflags
+      if: ${{ contains(matrix.cxx, 'clang') }}
+      run:
+        echo "CXXFLAGS=-stdlib=libc++" >> $GITHUB_ENV
+
     - name: Build & Install TRIQS
       env:
         CC: ${{ matrix.cc }}

.gitignore

@@ -1,2 +1,3 @@
 compile_commands.json
+doc/_autosummary
 doc/cpp2rst_generated

CMakeLists.txt

@@ -74,7 +74,7 @@ endif()
 
 # Documentation
 option(Build_Documentation "Build documentation" OFF)
-if(Build_Documentation AND NOT PythonSupport)
+if(NOT IS_SUBPROJECT AND (Build_Documentation AND NOT PythonSupport))
   message(FATAL_ERROR "Build_Documentation=ON requires PythonSupport to be enabled")
 endif()
 
@@ -111,16 +111,18 @@ target_compile_options(${PROJECT_NAME}_warnings
     $<$<CXX_COMPILER_ID:GNU>:-Wno-comma-subscript>
     $<$<CXX_COMPILER_ID:GNU>:-Wshadow=local>
     $<$<CXX_COMPILER_ID:GNU>:-Wno-attributes>
-    $<$<CXX_COMPILER_ID:Clang>:-Wno-deprecated-comma-subscript>
+    $<$<CXX_COMPILER_ID:Clang,IntelLLVM>:-Wno-deprecated-comma-subscript>
-    $<$<CXX_COMPILER_ID:Clang>:-Wno-unknown-warning-option>
+    $<$<CXX_COMPILER_ID:Clang,IntelLLVM>:-Wno-unknown-warning-option>
-    $<$<CXX_COMPILER_ID:Clang>:-Wshadow>
+    $<$<CXX_COMPILER_ID:Clang,IntelLLVM>:-Wshadow>
-    $<$<CXX_COMPILER_ID:Clang>:-Wno-gcc-compat>
+    $<$<CXX_COMPILER_ID:Clang,IntelLLVM>:-Wno-gcc-compat>
-    $<$<CXX_COMPILER_ID:Clang>:-Wno-c++20-extensions>
+    $<$<CXX_COMPILER_ID:Clang,IntelLLVM>:-Wno-c++20-extensions>
+    $<$<CXX_COMPILER_ID:Clang,IntelLLVM>:-Wno-c++20-compat>
     $<$<CXX_COMPILER_ID:AppleClang>:-Wno-deprecated-comma-subscript>
     $<$<CXX_COMPILER_ID:AppleClang>:-Wno-unknown-warning-option>
     $<$<CXX_COMPILER_ID:AppleClang>:-Wshadow>
     $<$<CXX_COMPILER_ID:AppleClang>:-Wno-gcc-compat>
     $<$<CXX_COMPILER_ID:AppleClang>:-Wno-c++20-extensions>
+    $<$<CXX_COMPILER_ID:AppleClang>:-Wno-c++20-compat>
 )
 
 # #############
@@ -148,7 +150,7 @@ if(PythonSupport)
 endif()
 
 # Docs
-if(Build_Documentation)
+if(NOT IS_SUBPROJECT AND Build_Documentation)
   add_subdirectory(doc)
 endif()
 

c++/triqs_dft_tools/CMakeLists.txt

@@ -49,7 +49,7 @@ if(ANALYZE_SOURCES)
 	TARGET ${PROJECT_NAME}_c
 	COMMAND ${CPPCHECK_EXECUTABLE}
 	  --enable=warning,style,performance,portability
-	  --std=c++20
+	  --std=c++23
 	  --template=gcc
 	  --verbose
 	  --force
@@ -64,21 +64,36 @@ if(ANALYZE_SOURCES)
 
 endif()
 
-
 # ========= Dynamic Analyzer Checks ==========
 
 option(ASAN OFF "Compile library and executables with LLVM Address Sanitizer")
-option(UBSAN OFF "Compile library and executables with LLVM Undefined Behavior Sanitizer")
-
 if(ASAN)
   if(NOT TARGET asan)
-    find_package(sanitizer REQUIRED "asan")
+    find_package(sanitizer REQUIRED COMPONENTS asan)
   endif()
   target_link_libraries(${PROJECT_NAME}_c PUBLIC $<BUILD_INTERFACE:asan>)
 endif()
+
+option(UBSAN OFF "Compile library and executables with LLVM Undefined Behavior Sanitizer")
 if(UBSAN)
   if(NOT TARGET ubsan)
-    find_package(sanitizer REQUIRED "ubsan")
+    find_package(sanitizer REQUIRED COMPONENTS ubsan)
   endif()
   target_link_libraries(${PROJECT_NAME}_c PUBLIC $<BUILD_INTERFACE:ubsan>)
 endif()
+
+option(MSAN OFF "Compile library and executables with LLVM Memory Sanitizer")
+if(MSAN)
+  if(NOT TARGET msan)
+    find_package(sanitizer REQUIRED COMPONENTS msan)
+  endif()
+  target_link_libraries(${PROJECT_NAME}_c PUBLIC $<BUILD_INTERFACE:msan>)
+endif()
+
+option(TSAN OFF "Compile library and executables with LLVM Thread Sanitizer")
+if(TSAN)
+  if(NOT TARGET tsan)
+    find_package(sanitizer REQUIRED COMPONENTS tsan)
+  endif()
+  target_link_libraries(${PROJECT_NAME}_c PUBLIC $<BUILD_INTERFACE:tsan>)
+endif()

deps/CMakeLists.txt

@@ -48,7 +48,7 @@ else()
 endif()
 
 # -- Cpp2Py --
-if(PythonSupport OR Build_Documentation)
+if(PythonSupport OR (NOT IS_SUBPROJECT AND Build_Documentation))
   external_dependency(Cpp2Py
     GIT_REPO https://github.com/TRIQS/cpp2py
     VERSION 2.0

packaging/TRIQS-dft_tools-3.0.0-foss-2019a-Python-3.7.2.eb

@@ -1,70 +0,0 @@
-easyblock = 'CMakeMake'
-
-name = 'TRIQS-dft_tools'
-version = '3.0.0'
-versionsuffix = '-Python-%(pyver)s'
-
-homepage = 'https://triqs.github.io/dft_tools/'
-description = """
- TRIQS (Toolbox for Research on Interacting Quantum Systems) is a
- scientific project providing a set of C++ and Python libraries to
- develop new tools for the study of interacting quantum systems.
-
- This TRIQS-based-based application is aimed at ab-initio calculations
- for correlated materials, combining realistic DFT band-structure calculation 
- with the dynamical mean-field theory. Together with the necessary tools to
- perform the DMFT self-consistency loop for realistic multi-band problems,
- the package provides a full-fledged charge self-consistent interface to the
- Wien2K package. In addition, if Wien2k is not available, it provides a generic
- interface for one-shot DFT+DMFT calculations, where only the single-particle
- Hamiltonian in orbital space has to be provided.
-"""
-
-docurls = ['https://triqs.github.io/dft_tools/%(version_major_minor)s.x/']
-software_license = 'LicenseGPLv3'
-
-toolchain = {'name': 'foss', 'version': '2019a'}
-toolchainopts = {'pic': True, 'usempi': True}
-
-source_urls = ['https://github.com/TRIQS/dft_tools/releases/download/%(version)s/']
-sources = ['dft_tools-%(version)s.tar.gz']
-checksums = ['PUT HERE THE SHA256 OF THE RELEASE TARBALL']
-
-dependencies = [
-    ('Python', '3.7.2'),
-    ('SciPy-bundle', '2019.03'),
-    ('Boost', '1.70.0'),
-    ('Clang', '8.0.0'),
-    ('GMP', '6.1.2'),
-    ('Mako', '1.0.8'),
-    ('h5py', '2.9.0'),
-    ('TRIQS', '3.0.0', versionsuffix),
-]
-
-builddependencies = [
-    ('CMake', '3.13.3')
-]
-
-separate_build_dir = True
-
-runtest = 'test'
-
-sanity_check_paths = {
-    'files': ['bin/dmftproj', 'lib/libtriqs_dft_tools_c.a'],
-    'dirs': ['include/triqs_dft_tools', 'bin', 'lib', 'share',
-             'lib/python%(pyshortver)s/site-packages/triqs_dft_tools'],
-}
-
-sanity_check_commands = ["python -c 'import triqs_dft_tools'"]
-
-modextrapaths = {
-    'CPLUS_INCLUDE_PATH': 'include',
-    'PYTHONPATH': 'lib/python%(pyshortver)s/site-packages',
-    'CMAKE_PREFIX_PATH': 'lib/cmake/triqs_dft_tools',
-}
-modextravars = {
-    'TRIQS_DFT_TOOLS_ROOT': '%(installdir)s',
-    'TRIQS_DFT_TOOLS_VERSION': '%(version)s',
-}
-
-moduleclass = 'phys'

packaging/TRIQS-dft_tools-3.2.0-foss-2021b.eb

@@ -1,7 +1,7 @@
 easyblock = 'CMakeMake'
 
 name = 'TRIQS-dft_tools'
-version = '3.1.0'
+version = '3.2.0'
 
 homepage = 'https://triqs.github.io/dft_tools/'
 description = """
@@ -27,7 +27,7 @@ toolchainopts = {'pic': True, 'usempi': True}
 
 source_urls = ['https://github.com/TRIQS/dft_tools/releases/download/%(version)s/']
 sources = ['dft_tools-%(version)s.tar.gz']
-checksums = ['57b7d0fe5a96c5a42bb684c60ca8e136a33e1385bf6cd7e9d1371fa507dc2ec4']
+checksums = ['PUT HERE THE SHA256 OF THE RELEASE TARBALL']
 
 dependencies = [
     ('Python', '3.9.6'),
@@ -38,7 +38,7 @@ dependencies = [
     ('GMP', '6.2.1'),
     ('HDF5', '1.10.7'),
     ('Mako', '1.1.4'),
-    ('TRIQS', '3.1.0'),
+    ('TRIQS', '3.2.0'),
 ]
 
 builddependencies = [

share/cmake/extract_flags.cmake

@@ -60,7 +60,9 @@ macro(extract_flags)
   endforeach()
 
   get_property_recursive(cxx_features TARGET ${target} PROPERTY INTERFACE_COMPILE_FEATURES)
-  if(cxx_std_20 IN_LIST cxx_features)
+  if(cxx_std_23 IN_LIST cxx_features)
+    set(${target}_CXXFLAGS "${${target}_CXXFLAGS} -std=c++2b")
+  elseif(cxx_std_20 IN_LIST cxx_features)
     set(${target}_CXXFLAGS "${${target}_CXXFLAGS} -std=c++20")
   elseif(cxx_std_17 IN_LIST cxx_features)
     set(${target}_CXXFLAGS "${${target}_CXXFLAGS} -std=c++17")