#! /usr/bin/env ruby
# coding: utf-8
#
# USAGE:
# qsubvasp [-n num] -c CLUSTER_NAME calc_dir
#
#   [-n INDICATOR]
#     Integer can be uused as INDICATOR.
#     If INDICATOR cannot be evaluated as positive integer,
#     try to find tue hostname of localhost and
#     key of
#     the INDICATOR in ~/.machineinfo
#     Default value is 1.
#
#   calc_dir is a vasp directory as usual,
#   when with -g option, VaspGeomOpt directory.

#require "optparse"
require "pp"
require "yaml"
require "optparse"

require "rubygems"
gem "comana"
require "comana/queuesubmitter.rb"
require "comana/machineinfo.rb"

require "vasputils/vaspdir.rb"
require "vasputils/vaspgeomopt.rb"

opts = {}

op = OptionParser.new
op.on("-c cluster", "--cluster" , "Cluster name."){|v| opts["cluster"] = v }
op.on("-n number", "--number", "Indicate node number, or key in ~/.machineinfo."){|v|
  opts["number"] = v
}
op.on("-g", "--geom-opt", "Geometry optimization."){ opts["geomopt"] = true}
op.parse!(ARGV)

def condition_check(opts)
  # Condition Check
  mi = MachineInfo.load_file("#{ENV["HOME"]}/.machineinfo")
  conds = {}
  # cluster
  name = opts["cluster"]
  #pp mi.get_info(name)
  if name
    conds["cluster"] = name
  else
    puts "-c CLUSTER_NAME is necessary."
    exit
  end

  # target and command
  unless ARGV.size == 1
    puts "Indicate only one directory for vasp. Argument: #{ARGV}"
    exit
  end
  if opts["geomopt"]
    begin
      conds["target"] = VaspGeomOpt.new(File.expand_path(ARGV[0]))
      conds["command"] = "runvasp -g"
    rescue VaspGeomOpt::NoVaspDirError
      puts "Seem not to be a directory for VaspGeomOpt #{ARGV}"
      exit
    end
  else
    begin
      conds["target"] = VaspDir.new(File.expand_path(ARGV[0]))
      conds["command"] = "runvasp"
    rescue VaspDir::InitializeError
      puts "Seem not to be a directory for VaspDir #{ARGV}"
      exit
    end
  end

  # number
  str = opts["number"]
  num = str.to_i
  if num > 0
    conds["number"] = num
  else
    if mi.get_info(name).has_key?(str)
      conds["number"] = mi.get_info(name)[str]
    else
      puts "-n argument must be a positive integer or key in ~/machineinfo."
      exit
    end
  end
  conds
end
opts = condition_check(opts)

qs = QueueSubmitter.new(opts)
#pp qs; exit

begin
  qs.start
  puts "Submitted. Exit."
  exit
rescue QueueSubmitter::AlreadyStartedError
  puts "Already started. Exit."
  exit
rescue QueueSubmitter::PrepareNextError
  puts "Must not happen."
  exit
end