Mbk/docker

ci/Dockerfile.ubuntu

@@ -1,39 +1,38 @@
 # First stage
 # ===================================
-FROM ubuntu:20.04 as intermediate
+FROM --platform=linux/amd64 ubuntu:22.04 as intermediate
 
 RUN apt update && \
-    DEBIAN_FRONTEND=noninteractive  apt-get install -y  build-essential gfortran git m4 wget cmake \
+    DEBIAN_FRONTEND=noninteractive  apt-get install -y  build-essential gfortran git m4 wget cmake ninja-build \
     libopenblas-dev libfftw3-dev libhdf5-dev libhdf5-serial-dev libnetcdf-dev libnetcdff-dev libgl1-mesa-dev \
     python3-dev python3-pip python3-venv
 
 # Install mpich manually
 WORKDIR /src
-ARG mpich=3.3
+ARG mpich=4.0.3
 ARG mpich_prefix=mpich-$mpich
 
 RUN \
     wget https://www.mpich.org/static/downloads/$mpich/$mpich_prefix.tar.gz && \
     tar xvzf $mpich_prefix.tar.gz   && \
     cd $mpich_prefix                && \
-    ./configure                     && \
+    FFLAGS=-fallow-argument-mismatch FCFLAGS=-fallow-argument-mismatch ./configure                     && \
     make -j 4                       && \
     make install                    && \
     make clean                      && \
     cd ..                           && \
     rm -rf $mpich_prefix
 
+
 RUN /sbin/ldconfig
 
 RUN \
-    git clone --depth 1 https://github.com/Reference-ScaLAPACK/scalapack.git /src/scalapack && \
-    cd /src/scalapack && \
-    CC=mpicc F77=mpif77 FC=mpif90 CXX=mpicxx cmake -DBUILD_SHARED_LIBS=ON -S . -B build && \
-    cd build && \
-    make -j 4 && \
-    cmake --install . && \
-    cd ../..  && \
-    rm -rf scalapack
+    git clone --depth 1 https://github.com/Reference-ScaLAPACK/scalapack.git scalapack && \
+    mkdir scalapack/build && \
+    cd scalapack/build && \
+    CC=mpicc F77=mpif77 FC=mpif90 CXX=mpicxx cmake -DBUILD_SHARED_LIBS=ON -GNinja .. && \
+    cmake --build .  2>&1 | tee scalapack_build.log && \
+    cmake --install . 2>&1 | tee scalapack_install.log
 
 RUN /sbin/ldconfig
 
@@ -47,16 +46,15 @@ ENV PATH="/venv/bin:${PATH}"
 
 RUN git clone --depth 1 https://github.com/PrincetonUniversity/SPEC.git /src/SPEC && \
     cd /src/SPEC   &&  \
-    /venv/bin/python setup.py bdist_wheel && \
-    /venv/bin/pip install -v dist/*.whl
-
+    /venv/bin/pip install -v . 2>&1 | tee spec_build.log
+
 RUN git clone --depth 1 https://github.com/hiddenSymmetries/VMEC2000.git /src/VMEC && \
     cd /src/VMEC && \
     cp cmake/machines/ubuntu.json cmake_config_file.json && \
-    /venv/bin/pip install  .
+    /venv/bin/pip install -v . 2>&1 | tee vmec_build.log
 
 RUN /venv/bin/pip install h5py pyoculus py_spec
-RUN /venv/bin/pip install vtk==9.0.1 pyqt5 matplotlib pyevtk plotly
+RUN /venv/bin/pip install vtk==9.2.6 pyqt5 matplotlib pyevtk plotly
 RUN /venv/bin/pip install mayavi
 RUN /venv/bin/pip install  git+https://github.com/hiddenSymmetries/booz_xform
 RUN /venv/bin/pip install  git+https://github.com/hiddenSymmetries/virtual-casing
@@ -67,10 +65,16 @@ RUN git clone --recurse-submodules https://github.com/hiddenSymmetries/simsopt.g
     git fetch --tags --all && \
     /venv/bin/pip install  -v .
 
+# Get the failure logs by uncommenting the two lines following # === and running
+# DOCKER_BUILDKIT=1 docker build -t test -f Dockerfile.ubuntu . --target=fail-logs --output type=local,dest=./output/
+# For Mac, don't forget sudo before docker command
+# ========================================
+#FROM scratch AS fail-logs
+#COPY --from=intermediate /src /output
 
 # Second stage
 # ===================================
-FROM ubuntu:20.04
+FROM --platform=linux/amd64 ubuntu:22.04
 
 LABEL maintainer.name="Bharat Medasani" \
       maintainer.email="mbkumar.at.gmail" \