#!/bin/bash
#
# Copyright (C) 2001 Quantum ESPRESSO
#
# This program is free software; you can redistribute it and/or
# modify it under the terms of the GNU General Public License
# as published by the Free Software Foundation; either version 2
# of the License. See the file `License' in the root directory
# of the present distribution.

include ./ENVIRONMENT

default :
	@echo 'To run Quantum ESPRESSO test-suite, type at the shell prompt:'
	@echo ' '
	@echo '  make target'
	@echo ' '
	@echo 'where <target> identifies an action'
	@echo ' run-tests                   : run-tests-serial (default)'
	@echo ' run-tests-serial            : run all tests in SERIAL' 
	@echo ' run-tests-XX-serial         : run tests for XX={pw,cp} only, as above' 
	@echo ' run-tests-parallel          : run all tests in PARALLEL (4 MPI)'
	@echo ' run-tests-XX-parallel       : run tests for XX={pw,cp} only, as above' 
	@echo ' run-custom-test testdir=DIR : run test in DIR only (serial)'
	@echo ' run-custom-test-parallel testdir=DIR : run test in DIR only (parallel 4 MPI)'
	@echo ' compare                     : compare last output with reference'
	@echo ' pseudo                      : download needed PPs into ESPRESSO_PSEUDO'
	@echo ' clean                       : clean stdout/sderr of all tests'
	@echo ' '
	@echo 'For additional advanced commands and settings please manually inspect'
	@echo 'ENVIRONMENT and Makefile files'

prolog :
	@sed "s|XXXXXX|$(ESPRESSO_ROOT)|g" < userconfig.tmp > userconfig

pseudo :
	@./check_pseudo.sh pw_
	@./check_pseudo.sh cp_
	@./check_pseudo.sh epw_

run-tests : run-tests-serial

run-tests-serial : run-tests-pw-serial run-tests-cp-serial 

run-tests-parallel : run-tests-pw-parallel run-tests-cp-parallel run-tests-ph-parallel run-tests-epw-parallel


run-tests-cp-serial : prolog pseudo
	@if ! test -d $(ESPRESSO_TMPDIR); then mkdir $(ESPRESSO_TMPDIR); fi 
	env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=cp_all

run-tests-cp-parallel : prolog pseudo
	@if ! test -d $(ESPRESSO_TMPDIR); then mkdir $(ESPRESSO_TMPDIR); fi 
	env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=cp_all

run-tests-pw-serial : prolog pseudo
	env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=pw_all

run-tests-pw-parallel : prolog pseudo
	env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=pw_all

run-tests-ph-serial : prolog pseudo
	env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=ph_all

run-tests-ph-parallel : prolog pseudo
	env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=ph_all

run-tests-epw-serial : prolog pseudo
	env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=epw_partial

run-tests-epw-parallel : prolog pseudo
	env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=epw_all

run-travis : clean prolog pseudo
	env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=epw_base

run-custom-test : run-custom-test-serial

run-custom-test-serial : prolog pseudo
	@if test -d $(testdir); then \
	env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=$(testdir) ; fi

run-custom-test-parallel : prolog pseudo
	@if test -d $(testdir); then \
	env QE_USE_MPI=1 ${TESTCODE_DIR}/bin/testcode.py --verbose --category=$(testdir) ; fi


run-tests-xsd-pw-serial : prolog pseudo
	cd xsd_pw ; for file in ./*.in ; do \
  	echo "Running using $$file" ; \
		env QE_USE_MPI=0 ../run-pw.sh -in $$file &> $$file.out ; \
		python ../validate_xsd_pw.py $$file; \
    done ; cd ..

create-reference-cp : pseudo prolog
	@if ! test -d $(ESPRESSO_TMPDIR); then mkdir $(ESPRESSO_TMPDIR); fi 
	env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --category=cp_all make-benchmarks

create-reference-pw : pseudo prolog
	env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --category=pw_all make-benchmarks

create-reference-epw : pseudo prolog
	env QE_USE_MPI=0 ${TESTCODE_DIR}/bin/testcode.py --category=epw_all make-benchmarks


compare : compare-cp compare-pw compare-ph compare-epw

compare-cp : prolog
	${TESTCODE_DIR}/bin/testcode.py --category=cp_all  --verbose compare 2>&1 | tee out.CP.`date +%Y%m%d_%H%M%S`

compare-pw : prolog
	${TESTCODE_DIR}/bin/testcode.py --category=pw_all  --verbose compare 2>&1 | tee out.PW.`date +%Y%m%d_%H%M%S`

compare-ph : prolog
	${TESTCODE_DIR}/bin/testcode.py --category=ph_all  --verbose compare 2>&1 | tee out.PH.`date +%Y%m%d_%H%M%S`

compare-epw : prolog
	${TESTCODE_DIR}/bin/testcode.py --category=epw_all  --verbose compare 2>&1 | tee out.EPW.`date +%Y%m%d_%H%M%S`

clean:
# output files
	@for x in `find pw_* -name "test*"`; do rm -rf $$x; done
	@for x in `find ph_* -name "test*"`; do rm -rf $$x; done
	@for x in `find cp_* -name "test*"`; do rm -rf $$x; done
	@for x in `find epw_* -name "test*"`; do rm -rf $$x; done
# error files
	@for x in `find pw_* -name "CRASH"`; do rm -rf $$x; done
	@for x in `find ph_* -name "CRASH*"`; do rm -rf $$x; done
	@for x in `find cp_* -name "CRASH"`; do rm -rf $$x; done
	@for x in `find epw_* -name "CRASH"`; do rm -rf $$x; done
# pwscf data files
	@rm -rf pw_*/pwscf.* ph_*/pwscf.* epw_*/pwscf.*
# cp data files
	@rm -rf cp_si/si_*.* cp_o2/o2_*.* cp_h2o/h2o_*.* cp_sio2/sio2_*.*
	@rm -rf cp_si/si.??? cp_o2/o2.??? cp_h2o/h2o.??? cp_sio2/sio2.???
# Special case for 'pw_vc-relax' test-case
	@rm -f pw_vc-relax/ave pw_vc-relax/e pw_vc-relax/tv pw_vc-relax/p pw_vc-relax/eal pw_vc-relax/avec
# Special case for 'noexe_langevin' test-case
	@rm -f noexe_langevin/trajectory-pwscf.xyz
# Special case for PH
	@for x in `find ph_* -name "*dyn"`; do rm -rf $$x; done
# Cleaning PH final files
	@rm -rf ph_*/_ph0 ph_*/*.save ph_*/*.xml ph_*/a2F.* ph_*/*.dyn? ph_*/alpha2F.dat \
		ph_*/dyna2F ph_*/elph.gamma* ph_*/gam.lines ph_*/lambda ph_*/lambda.dat \
		ph_*/elph_dir ph_*/Al444.* ph_*/matdyn.modes ph_*/phonon.dos
	@rm -rf ph_metal/aluminum.* ph_base/carbon.* ph_base/nickel.* ph_base/silicon.*
# Cleaning EPW final files
	@rm -rf epw_*/_ph0 epw_*/*.save epw_*/*.wfc* epw_*/*.dyn* \
		epw_*/*.qdos_25.00 epw_*/*.P epw_*/*.freq epw_*/*.wout \
		epw_*/*.fmt epw_*/*.epmat_wanep epw_*/*.kgmap epw_*/*.egnv epw_*/*.ikmap \
		epw_*/*.nnkp epw_*/*.imag_iso_25.00 epw_*/*.pade_iso_25.00 epw_*/*.epmatwp* \
		epw_*/*.acon_iso_25.00 epw_*/*.crystal.fmt epw_*/*.a2f_iso epw_*/*.ephmat* \
		epw_*/*.kmap epw_*/*.lambda_k_pairs epw_*/*.ukk epw_*/*.imag_aniso_25.00 \
		epw_*/*.pade_aniso_gap0_25.00 epw_*/*.win epw_*/*.imag_aniso_gap0_25.00 \
		epw_*/*.chk epw_*/*.phdos_proj epw_*/*..a2f epw_*/*.imag_aniso_gap_FS_25.00 \
		epw_*/*.epmatwp epw_*/*.phdos epw_*/*.epwane epw_*/*.ephmat \
		epw_*/*.fmt epw_*/*.H epw_*/*.epb* epw_*/*self epw_*/*.a2f epw_*/*.01 \
		epw_*/*.kpt epw_*/*.gnu epw_*/*.eig epw_*/*.lambda_FS epw_*/*.sigma_restart* \
		epw_*/specfun.phon epw_*/specfun_sup.phon epw_*/*.tau_restart* \
                epw_*/*_elcond_* epw_*/fort.* epw_*/decay.* epw_*/scattering_rate* \
                epw_*/*.fc.* epw_*/*_band.dat epw_*/*F_restart* epw_*/*F_restart_CB* \
                epw_*/*.mmn epw_*/*.epmatkq* epw_*/*.epmatkqcb* epw_*/sparse* \
                epw_*/*.Fin_restart* epw_*/*.Fin_restartcb* epw_*/*.acon_iso_* \
                epw_*/*.imag_aniso* epw_*/*.imag_iso* epw_*/*.pade_* epw_*/*qdos_* \
                epw_*/epsilon2_indabs.dat epw_*/epsilon2_indabs_lorenz.dat \
                epw_mob_ibte_sym/save epw_*/*.bvec epw_*/*.fc epw_*/*.xml epw_*/*.labelinfo.dat \
                epw_mob_ibte/save epw_mob/save
                
# Special cases for EPW
	@rm -rf epw_base/save epw_super/save epw_pl/save/ epw_polar/save/ \
             trev/save epw_trev_uspp/save

	@rm -f userconfig

# Calling 'purge' means remove all reference outputs... be careful!
purge: clean
	@for x in `find pw_* -name "benchmark*"`; do rm -rf $$x; done
	@for x in `find cp_* -name "benchmark*"`; do rm -rf $$x; done