mirror of https://gitlab.com/QEF/q-e.git
F77_FUNC wrapper for C routines deleted with all associated configure machinery.
IMPORTANT: please verify the correct functioning of "ec_fill_radii" for qmmm git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@13640 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
giannozz
parent
c86848ceae
commit
df779596bd
|
|
@ -247,7 +247,17 @@ END SUBROUTINE qmmm_minimum_image
|
|||
IMPLICIT NONE
|
||||
INTEGER :: ierr,i
|
||||
INTEGER :: irecv_buf(8)
|
||||
|
||||
INTERFACE
|
||||
SUBROUTINE ec_fill_radii ( aradii, nat_mm, mass, types, ntypes, flag ) &
|
||||
BIND(C,name="ec_fill_radii")
|
||||
USE ISO_C_BINDING
|
||||
REAL(kind=c_double), INTENT(OUT) :: aradii(*)
|
||||
REAL(kind=c_double), INTENT(IN) :: mass(*)
|
||||
INTEGER(kind=c_int), INTENT(IN) :: types(*)
|
||||
INTEGER(kind=c_int), INTENT(IN) :: nat_mm, ntypes, flag
|
||||
END SUBROUTINE ec_fill_radii
|
||||
END INTERFACE
|
||||
|
||||
IF (qmmm_mode < 0) RETURN
|
||||
|
||||
#if defined(__MPI)
|
||||
|
|
|
|||
|
|
@ -71,7 +71,7 @@ SUBROUTINE errore( calling_routine, message, ierr )
|
|||
!
|
||||
#if defined(__PTRACE)
|
||||
#if defined(__INTEL_COMPILER)
|
||||
call tracebackqq(user_exit_code=-1)
|
||||
call tracebackqq(user_exit_code=-1)
|
||||
#elif __GFORTRAN__
|
||||
#if (__GNUC__>4) || ((__GNUC__==4) && (__GNUC_MINOR__>=8))
|
||||
call backtrace
|
||||
|
|
|
|||
|
|
@ -1,5 +1,3 @@
|
|||
md5.o :
|
||||
md5_from_file.o :
|
||||
memstat.o : ../include/c_defs.h
|
||||
ptrace.o : ../include/c_defs.h
|
||||
qmmm_aux.o : ../include/c_defs.h
|
||||
|
|
|
|||
|
|
@ -1,4 +1,3 @@
|
|||
#include "c_defs.h"
|
||||
/*
|
||||
Print the stack trace
|
||||
*/
|
||||
|
|
@ -8,7 +7,7 @@
|
|||
#endif
|
||||
#include <stdio.h>
|
||||
|
||||
void F77_FUNC(ptrace,PTRACE)(int *kilobytes)
|
||||
void ptrace_( )
|
||||
{
|
||||
#ifdef __PTRACE
|
||||
void *array[12];
|
||||
|
|
|
|||
|
|
@ -15,9 +15,6 @@
|
|||
#include<stdio.h>
|
||||
#include<stdlib.h>
|
||||
|
||||
#include "c_defs.h"
|
||||
|
||||
|
||||
/* ---------------------------------------------------------------------- */
|
||||
/* Manage the atomic number */
|
||||
|
||||
|
|
@ -222,7 +219,7 @@ static const double ec_r_covalent[EC_ELEMENTS+1] = {
|
|||
-1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1, -1
|
||||
};
|
||||
|
||||
int F77_FUNC(ec_fill_radii,EC_FILL_RADII)
|
||||
int ec_fill_radii
|
||||
( double *aradii, int *ndata, double *mass, int *type, int *ntypes, int *screen )
|
||||
{
|
||||
int i, el;
|
||||
|
|
|
|||
|
|
@ -10,12 +10,6 @@ or http://www.gnu.org/copyleft/gpl.txt .
|
|||
Variables that configure defines should be #undef-ined in
|
||||
include/c_defs.h.in !!! */
|
||||
|
||||
/* fortran-to-C naming convention, for functions with and without
|
||||
underscores in the name (some compilers treat them differently) */
|
||||
|
||||
#undef F77_FUNC
|
||||
#undef F77_FUNC_
|
||||
|
||||
/* do we have the mallinfo structure (see clib/memstat.c) ? */
|
||||
|
||||
#undef HAVE_MALLINFO
|
||||
|
|
|
|||
|
|
@ -14,18 +14,9 @@ are automatically generated by "configure".
|
|||
================
|
||||
automatically generated by configure using include/c_defs.h.in
|
||||
as template - included in C files in clib/ . Contains:
|
||||
|
||||
1) #define HAVE_MALLINFO
|
||||
#define HAVE_MALLINFO
|
||||
if the mallinfo structure is present (e.g. Linux)
|
||||
|
||||
2) Macros redefining C symbols so that Fortran finds them
|
||||
F77_FUNC, F77_FUNC_
|
||||
C routine 'name' in *.c files are defined as
|
||||
F77_FUNC('name','NAME')
|
||||
if 'name' does not contain an underscore; if it does, as
|
||||
F77_FUNC_('name','NAME')
|
||||
OBSOLESCENT: to be replaced by ISO C binding definitions
|
||||
|
||||
* iotk/include/iotk_config.h
|
||||
=========================
|
||||
contains definitions for iotk . Defines on output:
|
||||
|
|
|
|||
|
|
@ -24,7 +24,6 @@ m4_include([m4/x_ac_qe_f77.m4])
|
|||
m4_include([m4/x_ac_qe_f90.m4])
|
||||
m4_include([m4/x_ac_qe_f90rule.m4])
|
||||
m4_include([m4/x_ac_qe_fft.m4])
|
||||
m4_include([m4/x_ac_qe_fftw_pointer.m4])
|
||||
m4_include([m4/x_ac_qe_hdf5.m4])
|
||||
m4_include([m4/x_ac_qe_lapack.m4])
|
||||
m4_include([m4/x_ac_qe_ld.m4])
|
||||
|
|
@ -36,5 +35,4 @@ m4_include([m4/x_ac_qe_ranlib.m4])
|
|||
m4_include([m4/x_ac_qe_scalapack.m4])
|
||||
m4_include([m4/x_ac_qe_signal.m4])
|
||||
m4_include([m4/x_ac_qe_wget.m4])
|
||||
m4_include([m4/x_ac_qe_wrappers.m4])
|
||||
m4_include([m4/x_ac_qe_xml.m4])
|
||||
|
|
|
|||
File diff suppressed because it is too large
Load Diff
|
|
@ -45,9 +45,6 @@ X_AC_QE_ENVIRON()
|
|||
# Checking CC...
|
||||
X_AC_QE_CC()
|
||||
|
||||
# Checking FFTW pointers...
|
||||
X_AC_QE_FFTW_POINTER()
|
||||
|
||||
# Checking F77...
|
||||
X_AC_QE_F77()
|
||||
|
||||
|
|
@ -63,9 +60,6 @@ X_AC_QE_LD()
|
|||
# Checking F90 rule...
|
||||
X_AC_QE_F90RULE()
|
||||
|
||||
# find Fortran to C wrappers
|
||||
X_AC_QE_WRAPPERS()
|
||||
|
||||
AC_LANG_PUSH(Fortran 77)
|
||||
F77=$f90 # use Fortran 90 actually
|
||||
FFLAGS="$test_fflags"
|
||||
|
|
|
|||
|
|
@ -1,20 +0,0 @@
|
|||
# Copyright (C) 2001-2016 Quantum ESPRESSO Foundation
|
||||
|
||||
AC_DEFUN([X_AC_QE_WRAPPERS], [
|
||||
|
||||
AC_ARG_ENABLE(wrappers,
|
||||
[AS_HELP_STRING([--disable-wrappers], [disable C to fortran wrapper check (default: enabled)])],
|
||||
[if test "$enableval" = "yes" ; then
|
||||
check_wrappers=1
|
||||
else
|
||||
check_wrappers=0
|
||||
fi],
|
||||
[check_wrappers=1])
|
||||
|
||||
# Find Fortran to C wrappers
|
||||
if test "$check_wrappers" -ne 0; then
|
||||
AC_F77_WRAPPERS
|
||||
fi
|
||||
|
||||
]
|
||||
)
|
||||
Loading…
Reference in New Issue