Merge pull request plumed#704 from plumed/fortran-typesafe

Fortran typesafe

.github/workflows/ci.yml

@@ -105,11 +105,12 @@ jobs:
         rm GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
         echo "deb https://apt.repos.intel.com/oneapi all main" | sudo tee /etc/apt/sources.list.d/oneAPI.list
         sudo apt-get update
-        sudo apt-get install intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic intel-oneapi-mkl intel-oneapi-mkl-devel
+        sudo apt-get install intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic intel-oneapi-mkl intel-oneapi-mkl-devel intel-oneapi-compiler-fortran
         source /opt/intel/oneapi/setvars.sh
         printenv >> $GITHUB_ENV
         echo "CXX=icpc" >> $GITHUB_ENV
         echo "CC=icc" >> $GITHUB_ENV
+        echo "FC=ifort" >> $GITHUB_ENV
     - name: Install MPI
       # install MPI at last since it modifies CC and CXX
       if: contains( matrix.variant, '-mpi-' )

docker/fedora34

@@ -20,6 +20,7 @@ WORKDIR /home/plumed
 COPY plumed2.tgz /home/plumed
 
 # build and test plumed (no install)
+# FC is needed on gfortran 10 to pass regression tests
 RUN . /etc/bashrc \
  && module load mpi \
  && export OMPI_MCA_btl_base_warn_component_unused=0 \
@@ -29,6 +30,7 @@ RUN . /etc/bashrc \
  && export INCLUDE=$HOME/opt/include:$INCLUDE \
  && export LIBRARY_PATH=$HOME/opt/lib:$LIBRARY_PATH \
  && export LD_LIBRARY_PATH=$HOME/opt/lib:$LD_LIBRARY_PATH \
+ && export FC="gfortran -fallow-argument-mismatch" \
  && tar xzf plumed2.tgz \
  && cd plumed2 \
  && export PYTHONPATH=$PWD/python:$PYTHONPATH \

fortran/.gitignore

@@ -0,0 +1,2 @@
+/test*
+/*.mod