Intermediate commit. Transforming single script into individual steps.

install_script.sh

@@ -0,0 +1,38 @@
+#!/bin/bash
+
+# ------------------------------------------------------------------------
+# PACKAGE LIST: register all new dependent tools and libs here. Order
+# is important, the first in the list gets installed first
+# ------------------------------------------------------------------------
+tool_list="gcc intel cmake"
+mpi_list="mpich openmpi intelmpi"
+math_list="mkl acml openblas"
+lib_list="fftw libint libxc libgrpp libxsmm cosma scalapack elpa cusolvermp plumed \
+          spfft spla ptscotch superlu pexsi quip gsl spglib hdf5 libvdwxc sirius
+          libvori libtorch deepmd"
+package_list="${tool_list} ${mpi_list} ${math_list} ${lib_list}"
+# ------------------------------------------------------------------------
+
+# first set everything to __DONTUSE__
+for ii in ${package_list}; do
+  eval with_${ii}="__DONTUSE__"
+done
+
+# ------------------------------------------------------------------------
+# Work out default settings
+# ------------------------------------------------------------------------
+
+# tools to turn on by default:
+with_gcc="__SYSTEM__"
+
+if [ "COMPILER" = intel ]; then
+    ./install_intel.sh
+elif [ "COMPILER" = llvm ]; then
+    ./install_llvm.sh
+elif [ "COMPILER" = clang]; then
+    ./install_llvm.sh
+else
+    ./install_gcc.sh
+fi
+
+