config

#!/bin/bash

set -e

PP=$(dirname $0)

source $PP/lib.bash
source $PP/checks.bash

source_conf

# def -- set the default value of the setting
# adv -- set the default value of the setting and mark it as "advanced" setting
# fix -- set the value of the setting and fix it

def GRANT "$(defgrant)"
def TCLB "$(pwd)"
def CONFOPT "--disable-cuda"
def RUN_SINGULARITY "n" "yn"
def RUN_GPU "y" "yn"
function RUN_GPU_CHECK {
	case "$RUN_GPU" in
	n) def CONFOPT "--disable-cuda" ;;
	y) def CONFOPT "--with-cuda-arch=sm_60" ;;
	esac
}
def MODULES_BASE ""
#adv RUN_SINGULARITY "n" "yn"
adv DEBUG_QOS ""
adv MAIN_QOS ""
adv CORES_PER_TASK "1"
adv CORES_PER_TASK_FULL "1"
adv MEMORY_PER_TASK ""
adv MODULES_ADD  ""
adv MODULES_RUN  ""
adv MODULES_CHECK_AVAILABILITY "y" "yn"
adv PREPARE ""
adv PREPARE_CONFIGURE ""
adv PREPARE_MAKE ""
adv PREPARE_RUN ""
adv RUN_COMMAND "mpirun"
adv ADD_PATH ""
adv SINGULARITY_COMMAND ""
def Q_HEADER_SHELL_FLAGS ""
Q_HEADER_SHELL_FLAGS_ASK="no"

if command -v "sbatch" >/dev/null
then
	def ENGINE_CONF local
	def ENGINE_MAKE local
	def ENGINE_RUN  slurm
elif command -v "qsub" >/dev/null
then
	def ENGINE_CONF local
	def ENGINE_MAKE local
	def ENGINE_RUN  pbs
else
	def ENGINE_CONF local
	def ENGINE_MAKE local
	def ENGINE_RUN  local
fi
def MAX_TASKS_PER_NODE 1
def MAX_TASKS_PER_NODE 1
def MAX_TASKS_PER_NODE_FOR_COMPILATION $(grep processor /proc/cpuinfo  | wc -l)
function MAX_TASKS_PER_NODE_CHECK {
	check_integer "$1"
}
function MAX_TASKS_PER_NODE_FOR_COMPILATION_CHECK {
	check_integer "$1"
}
function CORES_PER_TASK_CHECK {
	check_integer "$1"
}
function CORES_PER_TASK_FULL_CHECK {
	check_integer "$1"
}

def RUN_INSTALL_RDEP "y" "yn"
def RUN_CONFIGURE "y" "yn"

adv CLUSTER "$(find_cluster)"

ONLY_PRINT=false
RUN_WAIT=true
while ! test -z "$1"
do
	case "$1" in
		-h|--help) usage;;
		-y|--yes) agree=true;;
		-d|--default) def=true;;
		--slurm) fix ENGINE_CONF "slurm" ;;
		--pbs) fix ENGINE_CONF "pbs" ;;
		--local) fix ENGINE_CONF "local" ;;
		--gpu) fix RUN_GPU "y";;
		--cpu) fix RUN_GPU "n";;
		-c|--cluster) shift; fix CLUSTER "$1";;
		--no-cluster) shift; fix CLUSTER "";;
		--print) ONLY_PRINT=true;;
		--no-wait) RUN_WAIT=false;;
		-*) echo "Unknown option '$1'"; exit 2;;
		*=*)
			VAR="${1%%=*}"
			VAL="${1#*=}"
			echo "Setting $VAR from commandline argument to: $VAL"
			fix "$VAR" "$VAL"
			;;
		*) echo "Unknown argument '$1'"; exit 2;;
	esac
	shift
done

ask_init
ask CLUSTER "What cluster defaults to load"
source_cluster
ask ENGINE_CONF "What scheduler to use for configuration (slurm|pbs|local)"
ask ENGINE_MAKE "What scheduler to use for compilation (slurm|pbs|local)"
ask ENGINE_RUN  "What scheduler to use for execution (slurm|pbs|local)"
ask GRANT "What is your grant name"
ask TCLB "What is the path to TCLB" path
ask RUN_SINGULARITY "Do you want to run in Singularity container"
ask RUN_GPU "Do you want to run on GPU"
ask CONFOPT "Provide ./configure options you want to use (please use single ' for quotes)"
ask ADD_PATH "Additional paths to add to PATH"
ask DEBUG_QOS "What is the name of the debug qos"
ask MAIN_QOS "What is the name of the main qos to use"
ask DEBUG_PARTITION "What is the name of the debug partition"
ask MAIN_PARTITION "What is the name of the main partition to use"
ask MAX_TASKS_PER_NODE "What is the maximal number of (mpi) processes/gpus per node"
ask MAX_TASKS_PER_NODE_FOR_COMPILATION "What is the maximal number of processes for compilation"
ask CORES_PER_TASK "How many cores per task (i.e. mpi processes)"
ask CORES_PER_TASK_FULL "How many cores per task (i.e. mpi processes) if multiple nodes are used"
ask MEMORY_PER_TASK "How much memory (GB) per rank shall be declared (reserved)"
ask MODULES_BASE "What modules to load ('-' for unload) for running/compiling TCLB"
ask MODULES_ADD  "What additional modules to load for compilation"
ask MODULES_RUN  "What modules to load ('-' for unload) for running TCLB"
ask MODULES_CHECK_AVAILABILITY "Shall check availability of the modules on the cluster?"
ask Q_HEADER_SHELL_FLAGS "What flags to add when launching a new !/bin/bash shell?"
ask PREPARE "What commands to run before running anything"
ask PREPARE_CONFIGURE "What commands to run before running anything"
ask PREPARE_MAKE "What commands to run before running make"
ask PREPARE_RUN "What commands to run before running TCLB"
ask RUN_COMMAND "What command to use to run MPI application (runmpi|srun|aprun)"
ask SINGULARITY_COMMAND "What command to use to run singularity container (singularity exec path_to_image.sif | singularity exec --nv path_to_image.sif)"
ask LAMMPS "Path to LAMMPS/LIGGGHTS installation (if any)"
ask RUN_INSTALL_RDEP "Do you want to install needed R packages now?"
ask RUN_CONFIGURE "Do you want to run ./configure now?"
save_conf

ADDCONFOPT=""
if ! test -z "$LAMMPS"
then
	ADDCONFOPT="$ADDCONFOPT --with-lammps=$LAMMPS"
fi

source_engine $ENGINE_CONF

if test "$RUN_INSTALL_RDEP" == "y" || test "$RUN_CONFIGURE" == "y"
then
	(
		q_header $Q_HEADER_SHELL_FLAGS
		q_name "TCLB:configure"
		q_queue $DEBUG_PARTITION
		q_grant $GRANT
		q_qos $DEBUG_QOS
		q_walltime 00:15:00
		q_units 1 1 1 0

		env_prepare
		echo "cd $TCLB"
		if test "$RUN_INSTALL_RDEP" == "y"
		then
			echo "./tools/install.sh rdep"
		fi
		if test "$RUN_CONFIGURE" == "y"
		then
			echo "make configure"
			echo "./configure $CONFOPT $ADDCONFOPT"
		fi
	) >tmp.job.scr
	q_run tmp.job.scr
fi