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## Copyright (C) 2002-2006 M. Marques, A. Castro, A. Rubio, G. Bertsch
## 2019 X. Andrade
## 2020 Susi Lehtola
##
## This Source Code Form is subject to the terms of the Mozilla Public
## License, v. 2.0. If a copy of the MPL was not distributed with this
## file, You can obtain one at http://mozilla.org/MPL/2.0/.
##
AC_INIT([libxc],[5.2.3],[libxc@tddft.org],[libxc],[http://www.tddft.org/programs/Libxc])
AC_CONFIG_SRCDIR([src/xc.h])
AM_INIT_AUTOMAKE
AC_CONFIG_HEADERS([config.h])
AC_CONFIG_MACRO_DIR([m4])
# Check if libm needs to be explicitly linked
AC_SEARCH_LIBS([sinh], [m])
AC_SEARCH_LIBS([atan2], [m])
AC_SEARCH_LIBS([tanh], [m])
AC_SEARCH_LIBS([cosh], [m])
AC_SEARCH_LIBS([sin], [m])
AC_SEARCH_LIBS([atan], [m])
AC_SEARCH_LIBS([exp], [m])
AC_SEARCH_LIBS([cos], [m])
AC_SEARCH_LIBS([log], [m])
AC_SEARCH_LIBS([pow], [m])
AC_SEARCH_LIBS([round], [m])
AC_SEARCH_LIBS([sqrt], [m])
AC_SEARCH_LIBS([erf], [m])
# Library versioning (C:R:A == current:revision:age)
# See the libtool manual for an explanation of the numbers
#
# libxc-2.0.0 1:0:0
# libxc-2.0.1 1:1:0
# libxc-2.0.2 1:2:0
# libxc-2.0.3 1:3:0
# libxc-2.1.0 2:0:1
# libxc-2.1.1 2:1:1
# libxc-2.1.2 2:2:1
# libxc-2.1.3 2:3:1
# libxc-2.2.0 3:0:0
# libxc-2.2.1 3:1:0
# libxc-2.2.3 3:3:0
# libxc-3.0.0 4:0:0
# libxc-3.0.1 4:1:0
# libxc-4.0.0 5:0:0
# libxc-4.0.1 5:1:0
# libxc-4.0.2 5:2:0
# libxc-4.0.3 5:3:0
# libxc-4.0.4 5:4:0
# libxc-4.0.5 5:5:0
# libxc-4.1.0 6:0:1
# libxc-4.1.1 6:1:1
# libxc-4.2.0 7:0:2
# libxc-4.2.1 7:1:2
# libxc-4.2.2 7:2:2
# libxc-4.2.3 7:3:2
# libxc-4.3.0 8:0:3
# libxc-4.3.2 8:1:3
# libxc-4.3.2 8:2:3
# libxc-4.3.3 8:3:3
# libxc-4.3.4 8:4:3
# libxc-5.0.0 9:0:0
# libxc-5.1.0 10:0:1
# libxc-5.1.1 10:1:1
# libxc-5.1.2 10:2:1
# libxc-5.1.3 10:3:1
# libxc-5.1.4 10:4:1
# libxc-5.1.5 10:5:1
# libxc-5.1.6 10:6:1
# libxc-5.1.7 10:7:1
# libxc-5.2.0 11:0:2
# libxc-5.2.1 11:1:2
# libxc-5.2.2 11:2:2
# libxc-5.2.3 11:3:2
# libxc-6.0.0 12:0:0
#
# Note that libtool versioning was not used prior to libxc-2.0.
# Because of this, we will start counting at 1.
#
# How to update library version number
# ====================================
#
# C: increment if the interface has additions, changes, removals.
#
# R: increment any time the source changes; set to 0 if you
# incremented CURRENT
#
# A: increment if any interfaces have been added; set to 0 if any
# interfaces have been removed. removal has precedence over adding,
# so set to 0 if both happened.
XC_CURRENT=11
XC_REVISION=3
XC_AGE=2
XC_LT_VERSION="${XC_CURRENT}:${XC_REVISION}:${XC_AGE}"
AC_SUBST(XC_LT_VERSION)
# Split VERSION into XC_VERSION_MAJOR and XC_VERSION_MINOR
# Follows AX_SPLIT_VERSION macro from AC-Archive
# Rhys Ulerich <rhys.ulerich@gmail.com>
AC_PROG_SED
XC_MAJOR_VERSION=`echo "$VERSION" | $SED 's/\([[^.]][[^.]]*\).*/\1/'`
XC_MINOR_VERSION=`echo "$VERSION" | $SED 's/[[^.]][[^.]]*.\([[^.]][[^.]]*\).*/\1/'`
XC_MICRO_VERSION=`echo "$VERSION" | $SED 's/[[^.]][[^.]]*.[[^.]][[^.]]*.\(.*\)/\1/'`
AC_SUBST(XC_MAJOR_VERSION)
AC_SUBST(XC_MINOR_VERSION)
AC_SUBST(XC_MICRO_VERSION)
# Installation prefix by default
AC_PREFIX_DEFAULT([/opt/etsf])
AC_DISABLE_SHARED
LT_PREREQ([2.2])
LT_INIT
# enable cuda first, since this is required for the compiler selection
AC_ARG_ENABLE(cuda, AS_HELP_STRING([--enable-cuda], [Cuda support (experimental)]))
if test x"${enable_cuda}" = x"yes" ; then
AC_DEFINE(HAVE_CUDA, 1, [defined if cuda support is enabled])
fi
AM_CONDITIONAL([HAVE_CUDA], [test x"${enable_cuda}" = x"yes"])
# Checks for programs.
AC_PROG_CC
#we may need to set the linker for the cuda case, so pass that to automake
if test x"$CCLD" = x ; then
CCLD=$CC
fi
AC_SUBST(CCLD)
AC_LANG_PREPROC
AM_PROG_CC_C_O
AC_C_INLINE
# Checks for header files.
AC_HEADER_STDC
AC_FUNC_ALLOCA
# Checks for typedefs, structures, and compiler characteristics.
AC_CHECK_SIZEOF(void*)
# Need BASH to run tests
AC_CHECK_PROG([BASH_SHELL],[bash],[yes])
# Check for presence of some C99 libm functions
AC_CHECK_LIB([m],[cbrt],[AC_DEFINE([HAVE_CBRT],[1],[libm includes cbrt])])
AC_CHECK_LIB([m],[feenableexcept],[AC_DEFINE([HAVE_FEENABLEEXCEPT],[1],[libm includes feenableexcept])])
AC_ARG_WITH([custom-fmoddir],
[AS_HELP_STRING([--with-custom-fmoddir=DIR],
[Instalation directory for Fortran module files (includedir by default)])],
[AC_SUBST([FMODDIR],["$withval"])],
[AC_SUBST([FMODDIR],['${includedir}'])])
# Enable/disable derivatives
AC_ARG_ENABLE([vxc],
AS_HELP_STRING([--disable-vxc], [don't build first derivatives]),
[ac_cv_build_vxc=$enableval],
[ac_cv_build_vxc=yes])
if test x"${ac_cv_build_vxc}" = x"no"; then
AC_DEFINE(XC_DONT_COMPILE_VXC, 1, [defined if first derivatives are disabled])
AC_DEFINE(XC_DONT_COMPILE_FXC, 1, [defined if second derivatives are disabled])
AC_DEFINE(XC_DONT_COMPILE_KXC, 1, [defined if third derivatives are disabled])
AC_DEFINE(XC_DONT_COMPILE_LXC, 1, [defined if fourth derivatives are disabled])
fi
AC_ARG_ENABLE([fxc],
AS_HELP_STRING([--disable-fxc], [don't build second derivatives]),
[ac_cv_build_fxc=$enableval],
[ac_cv_build_fxc=yes])
if test x"${ac_cv_build_fxc}" = x"no"; then
AC_DEFINE(XC_DONT_COMPILE_FXC, 1, [defined if second derivatives are disabled])
AC_DEFINE(XC_DONT_COMPILE_KXC, 1, [defined if third derivatives are disabled])
AC_DEFINE(XC_DONT_COMPILE_LXC, 1, [defined if fourth derivatives are disabled])
fi
AC_ARG_ENABLE([kxc],
AS_HELP_STRING([--disable-kxc], [don't build third derivatives]),
[ac_cv_build_kxc=$enableval],
[ac_cv_build_kxc=no])
if test x"${ac_cv_build_kxc}" = x"no"; then
AC_DEFINE(XC_DONT_COMPILE_KXC, 1, [defined if third derivatives are disabled])
AC_DEFINE(XC_DONT_COMPILE_LXC, 1, [defined if fourth derivatives are disabled])
fi
AC_ARG_ENABLE([lxc],
AS_HELP_STRING([--disable-lxc], [don't build fourth derivatives]),
[ac_cv_build_lxc=$enableval],
[ac_cv_build_lxc=no])
if test x"${ac_cv_build_lxc}" = x"no"; then
AC_DEFINE(XC_DONT_COMPILE_LXC, 1, [defined if fourth derivatives are disabled])
fi
AC_ARG_ENABLE([fhc],
AS_HELP_STRING([--disable-fhc], [do not enforce Fermi hole curvature]),
[ac_cv_build_fhc=$enableval],
[ac_cv_build_fhc=yes])
if test x"${ac_cv_build_fhc}" = x"yes"; then
AC_DEFINE(XC_ENFORCE_FERMI_HOLE_CURVATURE, 1, [defined if Fermi hole curvature is enforced])
fi
# build/install fortran bits unless --disable-fortran is used
AC_ARG_ENABLE([fortran],
AS_HELP_STRING([--disable-fortran], [don't build/install fortran components]),
[ac_cv_build_fortran=$enableval],
[ac_cv_build_fortran=yes])
AM_CONDITIONAL([ENABLE_FORTRAN], [test $ac_cv_build_fortran = yes])
if test $ac_cv_build_fortran = yes; then
HAVE_FORTRAN=1
AC_DEFINE(HAVE_FORTRAN, [1], [Defined if libxc is compiled with fortran support])
dnl try to find out what is the default FORTRAN 90 compiler
acx_save_fcflags="${FCFLAGS}"
AC_PROG_FC([], [Fortran 90])
if test x"$FC" = x; then
AC_MSG_ERROR([could not find Fortran 90 compiler])
fi
AC_LANG_PUSH(Fortran)
AC_FC_SRCEXT(f90)
FCFLAGS="${acx_save_fcflags}"
dnl Fortran default flags
ACX_FCFLAGS
dnl libxc needs the preprocessor. The result goes to FCCPP
ACX_FCCPP
dnl how Fortran mangles function names
AC_FC_WRAPPERS
dnl check whether we have or not a compiler that allows for very long lines...
ACX_LONG_FORTRAN_LINES
dnl check whether the Fortran 90 compiler accepts line markers cast by the preprocessor.
ACX_F90_ACCEPTS_LINE_NUMBERS
AX_F90_MODULE_EXTENSION
dnl Need to know the size of a Fortran integer
ACX_FC_INTEGER_SIZE
ACX_CC_FORTRAN_INT
dnl check whether the Fortran compiler supports Fortran 2003 iso_c_binding
ACX_FC_ISO_C_BINDING([], [AC_MSG_ERROR([Could not find Fortran 2003 iso_c_binding. Fortran 2003 interface can not be compiled.])])
AC_LANG_POP([Fortran])
else
HAVE_FORTRAN=0
fi
AC_SUBST(ax_cv_f90_modext)
AM_CONDITIONAL(F90_MOD_UPPERCASE, [test x$ax_f90_mod_uppercase = xyes])
AM_CONDITIONAL(COMPILE_FORTRAN, test x${HAVE_FORTRAN} = x1)
AM_CONDITIONAL([COMPILE_FORTRAN03], [test x$ac_cv_build_fortran03 = xyes])
AC_CONFIG_FILES([Makefile
xc_version.h
src/Makefile
src/maple2c/Makefile
src/maple2c/lda_exc/Makefile
src/maple2c/lda_vxc/Makefile
src/maple2c/gga_exc/Makefile
src/maple2c/gga_vxc/Makefile
src/maple2c/mgga_exc/Makefile
src/maple2c/mgga_vxc/Makefile
testsuite/Makefile
testsuite/pytest/Makefile
pkgconfig/Makefile
pkgconfig/libxc.pc
pkgconfig/libxcf90.pc
pkgconfig/libxcf03.pc
scripts/Makefile
maple/Makefile
maple/lda_exc/Makefile
maple/lda_vxc/Makefile
maple/gga_exc/Makefile
maple/gga_vxc/Makefile
maple/mgga_exc/Makefile
maple/mgga_vxc/Makefile
pylibxc/Makefile
cmake/Makefile
])
AC_OUTPUT
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