From c9e4a1da4f76c69c376ccf951d9eab8c23a04540 Mon Sep 17 00:00:00 2001 From: giannozz Date: Wed, 25 Apr 2012 12:46:47 +0000 Subject: [PATCH] Misc minor fixes: obsolete reference to libsolvent removed; module "solvent" removed from dependencies; make.depend updated; cleanup git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8925 c92efa57-630b-4861-b058-cf58834340f0 --- NEB/src/neb.f90 | 16 +--------------- PW/src/Makefile | 2 +- TDDFPT/src/make.depend | 18 ------------------ install/makedeps.sh | 2 ++ 4 files changed, 4 insertions(+), 34 deletions(-) diff --git a/NEB/src/neb.f90 b/NEB/src/neb.f90 index d1bf6a4a7..c97182f6a 100644 --- a/NEB/src/neb.f90 +++ b/NEB/src/neb.f90 @@ -107,10 +107,6 @@ PROGRAM neb ! endif ! -! mpi for engine -! call path_to_engine_mp() - ! - ! call set_input_unit() ! open(unit=stdinpath,file="neb.dat",status="old") @@ -139,19 +135,12 @@ PROGRAM neb CALL allocate_path_input_ions(input_images) CALL engine_to_path_pos(1) CALL engine_to_path_fix_atom_pos() + do i=2,input_images CALL set_engine_input_defaults() CALL clean_pw(.true.) -! if(i>=1.and.i<10) then -! write(a_tmp,'(i1)') i -! elseif(i>10.and.i<100) then -! write(a_tmp,'(i2)') i -! elseif(i>100.and.i<1000) then -! write(a_tmp,'(i3)') -! endif a_tmp=trim(int_to_char(i)) - OPEN(unit_tmp,file=trim(engine_prefix)//trim(a_tmp)//".in") CALL test_input_xml(unit_tmp,lxml) CLOSE(unit_tmp) @@ -170,17 +159,14 @@ PROGRAM neb CALL engine_to_path_pos(i) enddo ! - ! CALL path_to_engine_fix_atom_pos() ! CALL ioneb() ! - ! CALL set_engine_io_units() ! ! END INPUT RELATED ! - ! CALL check_stop_init() ! CALL io_image_start() diff --git a/PW/src/Makefile b/PW/src/Makefile index f9e353c57..d71c1645b 100644 --- a/PW/src/Makefile +++ b/PW/src/Makefile @@ -227,7 +227,7 @@ wannier_enrg.o \ QEMODS=../../Modules/libqemod.a -TLDEPS=bindir mods libs liblapack libblas libsolvent +TLDEPS=bindir mods libs liblapack libblas libenviron LIBOBJS = ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a diff --git a/TDDFPT/src/make.depend b/TDDFPT/src/make.depend index b5167eaf5..13e8c691d 100644 --- a/TDDFPT/src/make.depend +++ b/TDDFPT/src/make.depend @@ -290,21 +290,3 @@ stop_lr.o : ../../Modules/kind.o stop_lr.o : ../../Modules/mp.o stop_lr.o : ../../Modules/parallel_include.o stop_lr.o : lr_variables.o -bcast_lr_input.o : ../../include/f_defs.h -lr_alloc_init.o : ../../include/f_defs.h -lr_apply_liouvillian.o : ../../include/f_defs.h -lr_calc_dens.o : ../../include/f_defs.h -lr_dealloc.o : ../../include/f_defs.h -lr_diagonalise.o : ../../include/f_defs.h -lr_dot.o : ../../include/f_defs.h -lr_init_nfo.o : ../../include/f_defs.h -lr_main.o : ../../include/f_defs.h -lr_normalise.o : ../../include/f_defs.h -lr_ortho.o : ../../include/f_defs.h -lr_read_d0psi.o : ../../include/f_defs.h -lr_read_wf.o : ../../include/f_defs.h -lr_restart.o : ../../include/f_defs.h -lr_set_boxes_density.o : ../../include/f_defs.h -lr_solve_e.o : ../../include/f_defs.h -lr_write_restart.o : ../../include/f_defs.h -sd0psi.o : ../../include/f_defs.h diff --git a/install/makedeps.sh b/install/makedeps.sh index 850b29a6a..0c72ce153 100755 --- a/install/makedeps.sh +++ b/install/makedeps.sh @@ -90,6 +90,8 @@ for dir in $dirs; do then mv make.depend make.depend.tmp sed '/@environ_base@/d' make.depend.tmp > make.depend + sed '/@solvent@/d' make.depend > make.depend.tmp + mv make.depend.tmp make.depend fi rm -f make.depend.tmp