Test new latest intel compiler on GitHub Action

.github/workflows/linuxWF.yml

@@ -26,7 +26,7 @@ jobs:
         - -debug-mpi-
 # temporarily commented out
 # see https://github.com/plumed/plumed2/issues/976
-#        - -intel-
+        - -intel-
     steps:
     - uses: actions/checkout@v4
     - uses: actions/cache@v3
@@ -113,17 +113,21 @@ jobs:
       # install INTEL at last since it modifies CC and CXX
       if: contains( matrix.variant, '-intel-' )
       run: |
-        wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
-        sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
-        rm GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
+        wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
+        sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
+        rm GPG-PUB-KEY-INTEL-SW-PRODUCTS.PUB
+        #wget https://apt.repos.intel.com/intel-gpg-keys/GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
+        #sudo apt-key add GPG-PUB-KEY-INTEL-SW-PRODUCTS-2023.PUB
+        #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 intel-oneapi-compiler-fortran
+        #sudo apt-get install intel-oneapi-compiler-dpcpp-cpp-and-cpp-classic intel-oneapi-mkl intel-oneapi-mkl-devel intel-oneapi-compiler-fortran
+        sudo apt-get install intel-basekit intel-hpckit 
         source /opt/intel/oneapi/setvars.sh
         printenv >> $GITHUB_ENV
-        echo "CXX=icpc" >> $GITHUB_ENV
-        echo "CC=icc" >> $GITHUB_ENV
-        echo "FC=ifort" >> $GITHUB_ENV
+        echo "CXX=icpx" >> $GITHUB_ENV
+        echo "CC=icx" >> $GITHUB_ENV
+        echo "FC=ifx" >> $GITHUB_ENV
     - name: Install MPI
       # install MPI at last since it modifies CC and CXX
       if: contains( matrix.variant, '-mpi-' )

regtest/basic/rt-atomic-units/config

@@ -1,3 +1,3 @@
 type=driver
 # this is to test a different name
-arg="--plumed plumed.dat --trajectory-stride 1 --timestep 0.0005 --ixyz coord.xyz --length-units A"
+arg="--plumed plumed.dat --trajectory-stride 1 --timestep 0.0005 --ixyz coord.xyz --length-units A --box 5,5,5"

regtest/basic/rt-combine-periodic/config

@@ -1,3 +1,3 @@
 type=driver
 # this is to test a different name
-arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz tmp.xyz --dump-forces forces --dump-forces-fmt=%8.4f"
+arg="--plumed plumed.dat --trajectory-stride 10 --timestep 0.005 --ixyz tmp.xyz --dump-forces forces --dump-forces-fmt=%8.4f --box 13.86,6.4,8.8"