[build] bump gcc to ver 14 and llvm to 20 for triqs unstable compat

Author: the-hampel

Docker/github_ci_dockerfile

@@ -1,4 +1,5 @@
 FROM ubuntu:24.04 AS base
+ARG LLVM=20
 
 RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \
       build-essential \
@@ -8,27 +9,35 @@ RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y \
       cython3 \
       debhelper \
       dh-python \
-      g++-13 \
-      gfortran-13 \
+      clang-${LLVM} \
+      clang-tools-${LLVM} \
+      gcc-14 \
+      g++-14 \
+      gfortran-14 \
       git \
       hdf5-tools \
       libboost-dev \
+      libc++-${LLVM}-dev \
+      libc++abi-${LLVM}-dev \
+      libclang-${LLVM}-dev \
       libfftw3-dev \
       libgfortran5 \
       libgmp-dev \
       libhdf5-dev \
       libopenblas-dev \
       libnfft3-dev \
-      libomp-dev \
+      libomp-${LLVM}-dev \
       libopenmpi-dev \
       libpython3-dev \
+      llvm-${LLVM}-dev \
       openmpi-bin \
       openmpi-common \
       openmpi-doc \
       openssl \
       pandoc \
       python-is-python3 \
       python3-ase \
+      python3-clang-${LLVM} \
       python3-decorator \
       python3-dev \
       python3-jinja2 \
@@ -73,7 +82,8 @@ ARG NCORES=8
 RUN cd / && mkdir -p triqs && mkdir -p source
 
 ENV PYTHON_VERSION=3.12 \
-    CC=gcc-13 CXX=g++-13
+    CC=gcc-14 CXX=g++-14 \
+    CLANG_CC=clang-${LLVM} CLANG_CXX=clang++-${LLVM}
 # triqs
 ENV CPATH=/triqs/include:${CPATH} \
     PATH=/triqs/bin:${PATH} \
@@ -86,15 +96,27 @@ ENV CPATH=/triqs/include:${CPATH} \
     CTEST_PARALLEL_LEVEL=${NCORES} \
     TRIQS_ROOT=/triqs
 
+RUN cd /source && git clone -b unstable --depth 1 https://github.com/flatironinstitute/clair.git \
+    && cd clair && mkdir -p build && cd build \
+    && CXXFLAGS="" cmake ../ -DCMAKE_INSTALL_PREFIX=/triqs \
+         -DCMAKE_C_COMPILER=$CLANG_CC \
+         -DCMAKE_CXX_COMPILER=$CLANG_CXX \
+         -DBuild_Tests=OFF \
+    && make -j$NCORES && make install
+
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/triqs \
     && cd triqs && mkdir -p build && cd build \
     && cmake ../ -DCMAKE_INSTALL_PREFIX=/triqs \
+         -DCMAKE_C_COMPILER=$CC \
+         -DCMAKE_CXX_COMPILER=$CXX \
     && make -j$NCORES && ctest -j$NCORES && make install
 
 # dft_tools
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/dft_tools.git \
     && cd dft_tools && mkdir -p build && cd build \
     && cmake ../ \
+         -DCMAKE_C_COMPILER=$CC \
+         -DCMAKE_CXX_COMPILER=$CXX \
     && make -j$NCORES && ctest -j$NCORES && make install
 
 # cthyb
@@ -132,4 +154,3 @@ RUN pip install --no-deps --target /triqs/lib/python3.12/site-packages sparse-ir
 
 # remove source
 RUN cd / && rm -rf source
-

Docker/openmpi_dockerfile

@@ -1,5 +1,5 @@
 FROM --platform=linux/amd64 ubuntu:24.04 AS base
-ARG LLVM=19
+ARG LLVM=20
 
 # This platform includes dependencies for building docs
 RUN apt-get update && DEBIAN_FRONTEND=noninteractive apt-get install -y --no-install-recommends \
@@ -168,6 +168,14 @@ ENV CPATH=/triqs/include:/usr/include/mkl:${CPATH} \
     BLA_VENDOR=Intel10_64_dyn \
     TRIQS_ROOT=/triqs
 
+RUN cd /source && git clone -b unstable --depth 1 https://github.com/flatironinstitute/clair.git clair.src \
+    && mkdir -p clair.build && cd clair.build \
+    && cmake ../clair.src -DCMAKE_INSTALL_PREFIX=/triqs \
+         -DCMAKE_C_COMPILER=$CC \
+         -DCMAKE_CXX_COMPILER=$CXX \
+         -DBuild_Tests=OFF \
+    && make -j$NCORES && make install
+
 RUN cd /source && git clone -b unstable --depth 1 https://github.com/TRIQS/triqs triqs.src \
     && mkdir -p triqs.build && cd triqs.build \
     && cmake ../triqs.src -DCMAKE_INSTALL_PREFIX=/triqs \

test/python/test_observables.py

@@ -187,7 +187,6 @@ def test_add_dmft_observables_one_impurity_one_band(self):
 
         observables = add_dmft_observables(observables, general_params, solver_params, map_imp_solver, solver_type_per_imp, None, it, solvers, h_int,
                                            previous_mu, sum_k, density_mat, shell_multiplicity, E_bandcorr)
-        print(observables['orb_Z'])
         expected_observables = {'iteration': [1], 'mu': [1.56], 'E_tot': [10.43], 'E_bandcorr': [10.43],
                                 'E_int': [[]], 'E_corr_en': [0.0], 'E_dft': [0.0], 'E_DC': [[0.0]],
                                 'orb_gb2': [{'up': [[-0.0250]], 'down': [[-0.0498]]}], 'imp_gb2': [{'up': [-0.0250], 'down': [-0.0498]}],