Compiling 6.13.3 in Lion Mac OS

aromero · Post by **aromero** » Sun Apr 08, 2012 11:51 pm

I have tried to compile again the most recent version of Abinit (6.13.3) in a brand new Mac Os 10.7.3. I have recreated all necessary files (automake, lib tool, etc) and I did try to compile after configuration and the errors are again really weird.. any advice will be welcome :-)

Thanks!

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Code: Select all

MacBook-Pro-de-aldo:6.13.3-private aldoromero$ make
make  all-recursive
Making all in fallbacks
make fox
The build of fox has been disabled
Checking build of fox fallback
test -e stamps/fox-install-stamp
make libxc
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/libxc-1.1.0.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/libxc-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of libxc fallback
test -e stamps/libxc-install-stamp
make linalg
The build of linalg has been disabled
Checking build of linalg fallback
test -e stamps/linalg-install-stamp
make netcdf
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/netcdf-4.1.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/netcdf-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of netcdf fallback
test -e stamps/netcdf-install-stamp
make etsf_io
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/etsf_io-1.0.4.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/etsf_io-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of etsf_io fallback
test -e stamps/etsf_io-install-stamp
make atompaw
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/atompaw-3.0.1.4.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/atompaw-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of atompaw fallback
test -e stamps/atompaw-install-stamp
make[2]: *** [all-local] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2
MacBook-Pro-de-aldo:6.13.3-private aldoromero$ mkdir fallbacks/stamps/atompaw-install-stamp
MacBook-Pro-de-aldo:6.13.3-private aldoromero$ make
make  all-recursive
Making all in fallbacks
make fox
The build of fox has been disabled
Checking build of fox fallback
test -e stamps/fox-install-stamp
make libxc
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/libxc-1.1.0.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/libxc-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of libxc fallback
test -e stamps/libxc-install-stamp
make linalg
The build of linalg has been disabled
Checking build of linalg fallback
test -e stamps/linalg-install-stamp
make netcdf
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/netcdf-4.1.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/netcdf-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of netcdf fallback
test -e stamps/netcdf-install-stamp
make etsf_io
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/etsf_io-1.0.4.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/etsf_io-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of etsf_io fallback
test -e stamps/etsf_io-install-stamp
make atompaw
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/atompaw-3.0.1.4.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/atompaw-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of atompaw fallback
test -e stamps/atompaw-install-stamp
make wannier90
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/wannier90-1.2.0.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/wannier90-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of wannier90 fallback
test -e stamps/wannier90-install-stamp
make[2]: *** [all-local] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2
MacBook-Pro-de-aldo:6.13.3-private aldoromero$ mkdir fallbacks/stamps/wannier90-install-stamp
MacBook-Pro-de-aldo:6.13.3-private aldoromero$ make
make  all-recursive
Making all in fallbacks
make fox
The build of fox has been disabled
Checking build of fox fallback
test -e stamps/fox-install-stamp
make libxc
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/libxc-1.1.0.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/libxc-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of libxc fallback
test -e stamps/libxc-install-stamp
make linalg
The build of linalg has been disabled
Checking build of linalg fallback
test -e stamps/linalg-install-stamp
make netcdf
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/netcdf-4.1.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/netcdf-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of netcdf fallback
test -e stamps/netcdf-install-stamp
make etsf_io
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/etsf_io-1.0.4.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/etsf_io-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of etsf_io fallback
test -e stamps/etsf_io-install-stamp
make atompaw
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/atompaw-3.0.1.4.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/atompaw-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of atompaw fallback
test -e stamps/atompaw-install-stamp
make wannier90
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/wannier90-1.2.0.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/wannier90-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of wannier90 fallback
test -e stamps/wannier90-install-stamp
make bigdft
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/bigdft-1.6-tuto.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/bigdft-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of bigdft fallback
test -e stamps/bigdft-install-stamp
make[2]: *** [all-local] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2
MacBook-Pro-de-aldo:6.13.3-private aldoromero$ mkdir fallbacks/stamps/bigdft-install-stamp   
MacBook-Pro-de-aldo:6.13.3-private aldoromero$ make
make  all-recursive
Making all in fallbacks
make fox
The build of fox has been disabled
Checking build of fox fallback
test -e stamps/fox-install-stamp
make libxc
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/libxc-1.1.0.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/libxc-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of libxc fallback
test -e stamps/libxc-install-stamp
make linalg
The build of linalg has been disabled
Checking build of linalg fallback
test -e stamps/linalg-install-stamp
make netcdf
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/netcdf-4.1.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/netcdf-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of netcdf fallback
test -e stamps/netcdf-install-stamp
make etsf_io
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/etsf_io-1.0.4.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/etsf_io-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of etsf_io fallback
test -e stamps/etsf_io-install-stamp
make atompaw
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/atompaw-3.0.1.4.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/atompaw-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of atompaw fallback
test -e stamps/atompaw-install-stamp
make wannier90
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/wannier90-1.2.0.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/wannier90-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of wannier90 fallback
test -e stamps/wannier90-install-stamp
make bigdft
cd sources && \
     gzip -cd /Users/aldoromero/.abinit/tarballs/bigdft-1.6-tuto.1.tar.gz | tar xf -
/bin/sh: line 0: cd: sources: No such file or directory
make[3]: *** [stamps/bigdft-unfold-stamp] Error 1
make[2]: [all-local] Error 2 (ignored)
Checking build of bigdft fallback
test -e stamps/bigdft-install-stamp
Making all in src
Making all in incs
There is no buildable file here
Making all in mods
There is no buildable file here
Making all in 01_interfaces_ext
gfortran -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include   -ffree-form -J/Users/aldoromero/Abinit/6.13.3-private/src/mods -O2 -mtune=native -march=native -mfpmath=sse -g -ffree-line-length-none  -c -o m_iso_c_bindings.o m_iso_c_bindings.F90
rm -f lib01_interfaces_ext.a
ar rc lib01_interfaces_ext.a m_iso_c_bindings.o 
/usr/bin/ranlib: file: lib01_interfaces_ext.a(m_iso_c_bindings.o) has no symbols
ranlib lib01_interfaces_ext.a
ranlib: file: lib01_interfaces_ext.a(m_iso_c_bindings.o) has no symbols
ranlib: warning for library: lib01_interfaces_ext.a the table of contents is empty (no object file members in the library define global symbols)
Making all in 01_linalg_ext
gfortran -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include   -ffree-form -J/Users/aldoromero/Abinit/6.13.3-private/src/mods -O2 -mtune=native -march=native -mfpmath=sse -g -ffree-line-length-none  -c -o m_linalg_interfaces.o m_linalg_interfaces.F90
rm -f lib01_linalg_ext.a
ar rc lib01_linalg_ext.a m_linalg_interfaces.o 
/usr/bin/ranlib: file: lib01_linalg_ext.a(m_linalg_interfaces.o) has no symbols
ranlib lib01_linalg_ext.a
ranlib: file: lib01_linalg_ext.a(m_linalg_interfaces.o) has no symbols
ranlib: warning for library: lib01_linalg_ext.a the table of contents is empty (no object file members in the library define global symbols)
Making all in 01_macroavnew_ext
gfortran -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include   -ffree-form -J/Users/aldoromero/Abinit/6.13.3-private/src/mods -O2 -mtune=native -march=native -mfpmath=sse -g -ffree-line-length-none  -c -o io.o io.F90
gfortran -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include   -ffree-form -J/Users/aldoromero/Abinit/6.13.3-private/src/mods -O2 -mtune=native -march=native -mfpmath=sse -g -ffree-line-length-none  -c -o iorho.o iorho.F90
gfortran -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include   -ffree-form -J/Users/aldoromero/Abinit/6.13.3-private/src/mods -O2 -mtune=native -march=native -mfpmath=sse -g -ffree-line-length-none  -c -o numeric.o numeric.F90
/var/folders/sd/7rq2vwcx7fd8stfzsvfnz9980000gn/T//ccqieL16.s:172:no such instruction: `vmovsd LC2(%rip), %xmm0'

kaneod · Post by **kaneod** » Tue Apr 10, 2012 3:52 am

Ah! I tend to forget about this issue once I have abinit compiled but it occurs regularly on OSX. The problem is that on OSX there is a special macro applied to fix the install-sh path in each of the abinit directories and in the fallbacks directory it yields a MKDIR_P variable of something like /config/gnu/install-sh (missing the leading .). Then when the config script tries to create the sources and stamps directories it fails and all hell breaks loose.

As a workaround for now, edit the configure script in fallbacks to explicitly fix the install-sh path problem, make clean and start again. Once I get back into my office I'll post more exact instructions if you don't know how to do this.

Kane

Post by **jbeuken** » Tue Apr 10, 2012 9:22 pm

Hi,

kaneod wrote: ... it yields a MKDIR_P variable of something...

concerning the problem of MKDIR_P, you can try these "solutions" :

1) export MKDIR_P="/bin/mkdir -p"
2) install "coreutils" package with MacPort or fink and change the PATH variable

the "/bin/mkdir" of MacOS X is able to use -p but the autotools checks only if mkdir is a gnu version of mkdir not the capability to use -p :twisted:

jmb

kaneod · Post by **kaneod** » Tue Apr 10, 2012 11:13 pm

Thanks, it might be helpful to just use a workaround. I thought I'd just mention though (now that I have the source in front of me) that the core problem here is that the AX_PROG_MKDIR_P macro in fallbacks/configure.ac (from fallbacks/config/m4/util-fixes.m4) generates a set of instructions for a fix that doesn't actually fix.

The macro is:

Code: Select all

AC_DEFUN([AX_PROG_MKDIR_P],[
  AC_PROG_MKDIR_P
  ax_tmp_mkdir_p=`echo "${MKDIR_P}" | awk '{print [$]1}'`
  if test "${ax_tmp_mkdir_p}" = "config/gnu/install-sh"; then
    AC_MSG_NOTICE([fixing wrong path to mkdir replacement])
    MKDIR_P="${fallbacks_srcdir}/${MKDIR_P}"
  fi
  unset ax_tmp_mkdir_p

However, fallbacks_srcdir isn't set anywhere (it doesn't exist anywhere else in the final configure script) and is hence blank. So, since the native MKDIR_P is by that time config/gnu/install-sh (with some options), it stays that way, and the subsequent line:

Code: Select all

${MKDIR_P} exports sources stamps

fails and no stamps can be created, amongst other things.

For users, the fastest fix is just to change fallbacks_srcdir to just srcdir in all instances in fallbacks/configure. For a dev fix unless there was a deliberate strategy regarding the use of SRCDIR, I think the macro in fallbacks/m4/util-fixes.m4 should be modified in the same way (then autoreconf).

aromero · Post by **aromero** » Thu Apr 12, 2012 4:13 pm

THANKS both of you for your kind reply. I have tried to follow your advices but maybe I got lost.

I did change my .bashrc and I did include the line

export MKDIR_P="/bin/mkdir -p"

then, I did download the coreutils in macport but still is not compelling. After doing the two previous steps
I did a complete clean of the source try by
config/scripts/makemake -c
and then
config/scripts/makemake
./configure
make

but for now, I got stop at the libxc compilation....any ideas?

...

libtool: compile: gfortran -ffree-form -g -ffree-line-length-none -O2 -mtune=native -march=native -mfpmath=sse -g -O2 -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include -c libxc.f90 -o libxc.o
libxc.f90:30:

module xc_f90_ ## types_m
1
Error: Unclassifiable statement at (1)
libxc.f90:34.17:

integer, public, parameter :: xc_f90_kind = selected_real_kind(14)
1
Error: PUBLIC attribute at (1) is not allowed outside of the specification part of a module
libxc.f90:37.2:

type xc_f90_ ## pointer_t
1
Error: Unclassifiable statement at (1)
libxc.f90:38.11:

private
1
Error: PRIVATE statement at (1) is only allowed in the specification part of a module
libxc.f90:40.5:

end type xc_f90_ ## pointer_t
1
Error: Expecting END PROGRAM statement at (1)
libxc.f90:42.3:

end module xc_f90_ ## types_m
1
Error: Expecting END PROGRAM statement at (1)
libxc.f90:46:

module xc_f90_ ## lib_m
1
Error: Unclassifiable statement at (1)
libxc.f90:48.13:

use xc_f90_ ## types_m
1
Error: Syntax error in USE statement at (1)
libxc.f90:49.19:

use libxc_funcs_m
1
libxc.f90:39.30:

integer, pointer :: buffer
2
Error: USE statement at (1) cannot follow data declaration statement at (2)
libxc.f90:51.15:

implicit none
1
libxc.f90:39.30:

integer, pointer :: buffer
2
Error: IMPLICIT NONE statement at (1) cannot follow data declaration statement at (2)
libxc.f90:53.8:

public
1
Error: PUBLIC statement at (1) is only allowed in the specification part of a module
libxc.f90:99.28:

integer function xc_f90_ ## info_number(info)
1
Error: Expected formal argument list in function definition at (1)
libxc.f90:100.17:

use xc_f90_ ## types_m
1
Error: Syntax error in USE statement at (1)
libxc.f90:101.6:

type(xc_f90_ ## pointer_t), intent(in) :: info
1
Error: Unclassifiable statement at (1)
libxc.f90:102.7:

end function xc_f90_ ## info_number
1
Error: Expecting END INTERFACE statement at (1)
libxc.f90:104.28:

integer function xc_f90_ ## info_kind(info)
1
Internal Error at (1):
insert_bbt(): Duplicate key found!
make[7]: *** [libxc.lo] Error 1
make[6]: *** [all] Error 2
make[5]: *** [all-recursive] Error 1
make[4]: *** [all] Error 2
make[3]: *** [stamps/libxc-build-stamp] Error 2
make[2]: [all-local] Error 2 (ignored)
Checking build of libxc fallback
test -e stamps/libxc-install-stamp
make[2]: *** [all-local] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2

kaneod · Post by **kaneod** » Fri Apr 13, 2012 1:08 am

The fallbacks LibXC compilation in Abinit is not great, just compile it separately and point to it in your build.ac file with --with-libxc-incs="-I/path/to/your/libxc/installation/include" --with-libxc-libs="-L/path/to/your/libxc/installation/lib -lxc".

The errors you're seeing don't make all that much sense (it looks like it's not recognising the module statement, which may mean a bad preprocessing mistake) so I suspect if you just sort libxc out separately you'll be ok. Same goes for Atompaw.

Kane

aromero · Post by **aromero** » Sat Apr 14, 2012 5:53 pm

Dear Kane

thanks for your response. I did compile libxc without any problem but now when I am trying to link it
through the configure as

./configure --with-libxc-incs="-I/opt/etsf/include" --with-libxc-libs="-L/opt/etsf/lib -lxc"

I get the error

Code: Select all

 ==============================================================================
 === Build flags                                                            ===
 ==============================================================================

configure: WARNING: apple is not able to handle full link information
configure: WARNING: static builds will fail

 ==============================================================================
 === Advanced compiler features                                             ===
 ==============================================================================

checking stddef.h usability... no
checking stddef.h presence... yes
configure: WARNING: stddef.h: present but cannot be compiled
configure: WARNING: stddef.h:     check for missing prerequisite headers?
configure: WARNING: stddef.h: see the Autoconf documentation
configure: WARNING: stddef.h:     section "Present But Cannot Be Compiled"
configure: WARNING: stddef.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for stddef.h... no
checking stdarg.h usability... no
checking stdarg.h presence... yes
configure: WARNING: stdarg.h: present but cannot be compiled
configure: WARNING: stdarg.h:     check for missing prerequisite headers?
configure: WARNING: stdarg.h: see the Autoconf documentation
configure: WARNING: stdarg.h:     section "Present But Cannot Be Compiled"
configure: WARNING: stdarg.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for stdarg.h... no
checking stdio.h usability... no
checking stdio.h presence... yes
configure: WARNING: stdio.h: present but cannot be compiled
configure: WARNING: stdio.h:     check for missing prerequisite headers?
configure: WARNING: stdio.h: see the Autoconf documentation
configure: WARNING: stdio.h:     section "Present But Cannot Be Compiled"
configure: WARNING: stdio.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for stdio.h... no
checking math.h usability... no
checking math.h presence... yes
configure: WARNING: math.h: present but cannot be compiled
configure: WARNING: math.h:     check for missing prerequisite headers?
configure: WARNING: math.h: see the Autoconf documentation
configure: WARNING: math.h:     section "Present But Cannot Be Compiled"
configure: WARNING: math.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for math.h... no
checking termios.h usability... no
checking termios.h presence... yes
configure: WARNING: termios.h: present but cannot be compiled
configure: WARNING: termios.h:     check for missing prerequisite headers?
configure: WARNING: termios.h: see the Autoconf documentation
configure: WARNING: termios.h:     section "Present But Cannot Be Compiled"
configure: WARNING: termios.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for termios.h... no
checking errno.h usability... no
checking errno.h presence... yes
configure: WARNING: errno.h: present but cannot be compiled
configure: WARNING: errno.h:     check for missing prerequisite headers?
configure: WARNING: errno.h: see the Autoconf documentation
configure: WARNING: errno.h:     section "Present But Cannot Be Compiled"
configure: WARNING: errno.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for errno.h... no
checking malloc.h usability... no
checking malloc.h presence... no
checking for malloc.h... no
checking sys/malloc.h usability... no
checking sys/malloc.h presence... yes
configure: WARNING: sys/malloc.h: present but cannot be compiled
configure: WARNING: sys/malloc.h:     check for missing prerequisite headers?
configure: WARNING: sys/malloc.h: see the Autoconf documentation
configure: WARNING: sys/malloc.h:     section "Present But Cannot Be Compiled"
configure: WARNING: sys/malloc.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for sys/malloc.h... no
checking mcheck.h usability... no
checking mcheck.h presence... no
checking for mcheck.h... no
checking sys/time.h usability... no
checking sys/time.h presence... yes
configure: WARNING: sys/time.h: present but cannot be compiled
configure: WARNING: sys/time.h:     check for missing prerequisite headers?
configure: WARNING: sys/time.h: see the Autoconf documentation
configure: WARNING: sys/time.h:     section "Present But Cannot Be Compiled"
configure: WARNING: sys/time.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for sys/time.h... no
checking sys/resource.h usability... no
checking sys/resource.h presence... yes
configure: WARNING: sys/resource.h: present but cannot be compiled
configure: WARNING: sys/resource.h:     check for missing prerequisite headers?
configure: WARNING: sys/resource.h: see the Autoconf documentation
configure: WARNING: sys/resource.h:     section "Present But Cannot Be Compiled"
configure: WARNING: sys/resource.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for sys/resource.h... no
checking for abort... no
checking for mallinfo... no
checking size of char... 0
checking size of short... 0
checking size of int... 0
checking size of long... 0
checking size of long long... 0
checking size of unsigned int... 0
checking size of unsigned long... 0
checking size of unsigned long long... 0
checking size of float... 0
checking size of double... 0
checking size of long double... 0
checking size of size_t... 0
checking size of ptrdiff_t... 0
checking for an ANSI C-conforming const... no
checking for size_t... no
checking whether the Fortran compiler supports allocatable arrays in datatypes... yes
checking whether the Fortran compiler provides the iso_c_binding module... yes
checking whether the Fortran compiler accepts exit()... yes
checking whether the Fortran compiler accepts flush()... yes
checking whether the Fortran compiler accepts flush_()... no
checking whether the Fortran compiler accepts gamma()... yes
checking whether the Fortran compiler accepts getenv()... yes
checking whether the Fortran compiler accepts getpid()... no
checking whether the Fortran compiler accepts the null() intrinsic... yes
checking whether the Fortran compiler accepts quadruple integers... yes
checking whether the Fortran compiler accepts long lines... yes
checking whether the Fortran compiler supports stream IO... yes
checking whether the Fortran compiler accepts cpu_time()... yes
checking whether the Fortran compiler accepts etime()... no
checking whether to use C clock for timings... no

 ==============================================================================
 === Multicore architecture support                                         ===
 ==============================================================================

checking whether MPI is usable... no
checking whether to build MPI code... no
checking whether the MPI library supports MPI_CREATE_TYPE_STRUCT... no
checking whether to activate GPU support... no

 ==============================================================================
 === Connectors / Fallbacks                                                 ===
 ==============================================================================

checking for the requested transferable I/O support... netcdf+etsf_io
checking whether to select a fallback for netcdf... no
checking netcdf.h usability... no
checking netcdf.h presence... no
checking for netcdf.h... no
checking for library containing nc_open... no
checking for Fortran module includes... unknown
configure: WARNING: falling back to internal netcdf version
checking whether to select a fallback for etsf_io... no
configure: WARNING: ETSF_IO requires missing NetCDF support
configure: WARNING: falling back to internal etsf_io version
checking for the actual transferable I/O support... netcdf-fallback+etsf_io-fallback
checking for the requested timer support... abinit
checking time.h usability... no
checking time.h presence... yes
configure: WARNING: time.h: present but cannot be compiled
configure: WARNING: time.h:     check for missing prerequisite headers?
configure: WARNING: time.h: see the Autoconf documentation
configure: WARNING: time.h:     section "Present But Cannot Be Compiled"
configure: WARNING: time.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for time.h... no
checking for clock_gettime in -lrt... no
checking for clock_gettime... no
checking for the actual timer support... abinit
checking for the requested linear algebra support... netlib
checking whether to select a fallback for linear algebra... no
checking for AXPBY support in specified BLAS libraries... no
checking for gemm3m in specified libraries... no
checking for library containing zgemm... -lblas
checking for library containing zhpev... -llapack
checking whether we have a serial linear algebra support... yes
checking whether we have a MPI linear algebra support... no
checking whether we have a GPU linear algebra support... no
checking for the actual linear algebra support... netlib
checking for the requested algorithmic support... none
checking for the actual algorithmic support... none
checking for the requested math support... none
checking for the actual math support... none
checking for the requested FFT support... none
checking for the actual FFT support... none
checking for the requested DFT support... atompaw+bigdft+libxc+wannier90
checking whether to select a fallback for libxc... no
checking xc.h usability... no
checking xc.h presence... yes
configure: WARNING: xc.h: present but cannot be compiled
configure: WARNING: xc.h:     check for missing prerequisite headers?
configure: WARNING: xc.h: see the Autoconf documentation
configure: WARNING: xc.h:     section "Present But Cannot Be Compiled"
configure: WARNING: xc.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for xc.h... no
checking xc_funcs.h usability... no
checking xc_funcs.h presence... yes
configure: WARNING: xc_funcs.h: present but cannot be compiled
configure: WARNING: xc_funcs.h:     check for missing prerequisite headers?
configure: WARNING: xc_funcs.h: see the Autoconf documentation
configure: WARNING: xc_funcs.h:     section "Present But Cannot Be Compiled"
configure: WARNING: xc_funcs.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for xc_funcs.h... no
checking for Fortran module includes... none required

        +--------------------------------------------------------------+
        | Connector detection failure                                  |
        +--------------------------------------------------------------+
        | The build system of Abinit has not been able to detect       |
        | one or more requested external packages, probably because    |
        | you did not provide sufficient information. This means       |
        | that the build cannot proceed, and the configure script      |
        | will thus abort now with an error.                           |
        |                                                              |
        | To address this issue, you may:                              |
        |                                                              |
        | * make sure that the prerequisites of the external           |
        | packages are available and enabled, e.g.                     |
        | --with-dft-flavor="libxc+bigdft" or                          |
        | --with-trio-flavor="netcdf+etsf_io"                          |
        |                                                              |
        | * use the --with-*-bins, --with-*-incs, and                  |
        | --with-*-libs options of configure to provide                |
        | additional information; please see the section related       |
        | to connectors in                                             |
        | ~abinit/doc/config/build-config.ac for available             |
        | options and details;                                         |
        |                                                              |
        | * disable the corresponding extensions, by using the         |
        | associated --with-*-flavor="none" options of                 |
        | configure; please see the section associated to              |
        | connectors in ~abinit/doc/config/build-config.ac for         |
        | details.                                                     |
        |                                                              |
        +--------------------------------------------------------------+

configure: error: external libxc support does not work

It seems that it is more trickier that I thought

Thanks and regards

-aldo

kaneod · Post by **kaneod** » Mon Apr 16, 2012 3:26 am

Hi,

It seems your build environment is broken for some reason (could be a lot of things). Where did you get the fortran compiler you're using? Instead of using the command line options, copy the doc/config/build-config.ac file to the top level directory of your abinit code folder and rename it HOST.ac where HOST is the output of running hostname on the command line. Modify the contents of the file to suit your conditions.

Unfortunately the contents of the output you posted are not enough to diagnose this for you. You need to look in the config.log file to determine what is really happening, not just the output errors that happen at the end as they are just consequences of earlier problems.

Compiling abinit on a mac is straightforward if you are experienced with GNU-style installs and figuring out how to fix them. If not, grab some pre-compiled binaries.

Kane

Post by **pouillon** » Tue Apr 17, 2012 5:42 pm

On Mac you need to explicitely set CPP for the build of LibXC to work. If this is still not sufficient, you may use the --enable-fc-wrapper option in addition to it.

aromero · Post by **aromero** » Fri Apr 20, 2012 2:50 pm

Dear Kane and Yann

thanks for your replies. I have been trying to go through and still I am unsuccesful.

The gcc came with XCODE and the gfortran I did download it from hpc.sourceforge.net (lion version and binaries)

If I use configure without any flag, and after I use make, I get errors related to libxc as
Error: Unclassifiable statement at (1)
libxc.f90:102.7:

end function xc_f90_ ## info_number
1
Error: Expecting END INTERFACE statement at (1)
libxc.f90:104.28:

integer function xc_f90_ ## info_kind(info)
1
Internal Error at (1):
insert_bbt(): Duplicate key found!
make[7]: *** [libxc.lo] Error 1
make[6]: *** [all] Error 2

(config.log is included)

but if I do compile libxc on my own (which went really smooth) and I do use

./configure --with-libxc-incs=-I/opt/etsf/include --with-libxc-libs="-L/opt/etsf/lib/ -lxc"

which do exist:

nb134:6.13.3-private aldoromero$ ls /opt/etsf/include/
libxc_funcs_m.mod xc.h xc_config.h xc_f90_lib_m.mod xc_f90_types_m.mod xc_funcs.h
nb134:6.13.3-private aldoromero$ ls /opt/etsf/lib
libxc.a libxc.la pkgconfig

I get the following complain

Code: Select all

 ==============================================================================
 === Connectors / Fallbacks                                                 ===
 ==============================================================================

checking for the requested transferable I/O support... netcdf+etsf_io
checking whether to select a fallback for netcdf... no
checking netcdf.h usability... no
checking netcdf.h presence... no
checking for netcdf.h... no
checking for library containing nc_open... no
checking for Fortran module includes... unknown
configure: WARNING: falling back to internal netcdf version
checking whether to select a fallback for etsf_io... no
configure: WARNING: ETSF_IO requires missing NetCDF support
configure: WARNING: falling back to internal etsf_io version
checking for the actual transferable I/O support... netcdf-fallback+etsf_io-fallback
checking for the requested timer support... abinit
checking time.h usability... no
checking time.h presence... yes
configure: WARNING: time.h: present but cannot be compiled
configure: WARNING: time.h:     check for missing prerequisite headers?
configure: WARNING: time.h: see the Autoconf documentation
configure: WARNING: time.h:     section "Present But Cannot Be Compiled"
configure: WARNING: time.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for time.h... no
checking for clock_gettime in -lrt... no
checking for clock_gettime... no
checking for the actual timer support... abinit
checking for the requested linear algebra support... netlib
checking whether to select a fallback for linear algebra... no
checking for AXPBY support in specified BLAS libraries... no
checking for gemm3m in specified libraries... no
checking for library containing zgemm... -lblas
checking for library containing zhpev... -llapack
checking whether we have a serial linear algebra support... yes
checking whether we have a MPI linear algebra support... no
checking whether we have a GPU linear algebra support... no
checking for the actual linear algebra support... netlib
checking for the requested algorithmic support... none
checking for the actual algorithmic support... none
checking for the requested math support... none
checking for the actual math support... none
checking for the requested FFT support... none
checking for the actual FFT support... none
checking for the requested DFT support... atompaw+bigdft+libxc+wannier90
checking whether to select a fallback for libxc... no
checking xc.h usability... no
checking xc.h presence... yes
configure: WARNING: xc.h: present but cannot be compiled
configure: WARNING: xc.h:     check for missing prerequisite headers?
configure: WARNING: xc.h: see the Autoconf documentation
configure: WARNING: xc.h:     section "Present But Cannot Be Compiled"
configure: WARNING: xc.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for xc.h... no
checking xc_funcs.h usability... no
checking xc_funcs.h presence... yes
configure: WARNING: xc_funcs.h: present but cannot be compiled
configure: WARNING: xc_funcs.h:     check for missing prerequisite headers?
configure: WARNING: xc_funcs.h: see the Autoconf documentation
configure: WARNING: xc_funcs.h:     section "Present But Cannot Be Compiled"
configure: WARNING: xc_funcs.h: proceeding with the compiler's result
configure: WARNING:     ## ------------------------------------------------- ##
configure: WARNING:     ## Report this to https://bugs.launchpad.net/abinit/ ##
configure: WARNING:     ## ------------------------------------------------- ##
checking for xc_funcs.h... no
checking for Fortran module includes... none required

        +--------------------------------------------------------------+
        | Connector detection failure                                  |
        +--------------------------------------------------------------+
        | The build system of Abinit has not been able to detect       |
        | one or more requested external packages, probably because    |
        | you did not provide sufficient information. This means       |
        | that the build cannot proceed, and the configure script      |
        | will thus abort now with an error.                           |
        |                                                              |
        | To address this issue, you may:                              |
        |                                                              |
        | * make sure that the prerequisites of the external           |
        | packages are available and enabled, e.g.                     |
        | --with-dft-flavor="libxc+bigdft" or                          |
        | --with-trio-flavor="netcdf+etsf_io"                          |
        |                                                              |
        | * use the --with-*-bins, --with-*-incs, and                  |
        | --with-*-libs options of configure to provide                |
        | additional information; please see the section related       |
        | to connectors in                                             |
        | ~abinit/doc/config/build-config.ac for available             |
        | options and details;                                         |
        |                                                              |
        | * disable the corresponding extensions, by using the         |
        | associated --with-*-flavor="none" options of                 |
        | configure; please see the section associated to              |
        | connectors in ~abinit/doc/config/build-config.ac for         |
        | details.                                                     |
        |                                                              |
        +--------------------------------------------------------------+

By the way Kane, I am not interested in a binary because I am developing something in Abinit, therefore is not
only as a user :-)

Thanks again!

-aldo.

Post by **pouillon** » Fri Apr 20, 2012 7:45 pm

Looks like your system is ignoring the --with-libxc-* arguments. I clearly was not able to reproduce this problem. This is thus very likely coming from a misconfiguration of your development environment.

I cannot help you any further, because I'm not a Mac user.

kaneod · Post by **kaneod** » Mon Apr 23, 2012 10:00 pm

I concur. How about you post your config.log for the misconfiguration? It might contain something helpful.

aromero · Post by **aromero** » Tue Apr 24, 2012 9:33 am

Well.. herewith I am including two different config.log. The first one was created only with the ./configure command,
while the second one was created with ./configure --with-dft-flavor=none --with-trio-flavor=none

The errors for the first case looks like:

Code: Select all

cpp -P -std=c99  -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include  ./libxc_master.F90 > ../src/libxc.f90
/bin/sh ../libtool --tag=FC   --mode=compile gfortran  -ffree-form -g -ffree-line-length-none  -O2 -mtune=native -march=native -mfpmath=sse -g -O2 -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include -c -o libxc.lo  libxc
.f90
libtool: compile:  gfortran -ffree-form -g -ffree-line-length-none -O2 -mtune=native -march=native -mfpmath=sse -g -O2 -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include -c libxc.f90 -o libxc.o
libxc.f90:30:

module xc_f90_ ## types_m
1
Error: Unclassifiable statement at (1)
libxc.f90:34.17:

  integer, public, parameter :: xc_f90_kind = selected_real_kind(14)
                 1
Error: PUBLIC attribute at (1) is not allowed outside of the specification part of a module
libxc.f90:37.2:

  type xc_f90_ ## pointer_t
  1
Error: Unclassifiable statement at (1)
libxc.f90:38.11:

    private
           1
Error: PRIVATE statement at (1) is only allowed in the specification part of a module
libxc.f90:40.5:

  end type xc_f90_ ## pointer_t
     1
Error: Expecting END PROGRAM statement at (1)
libxc.f90:42.3:

end module xc_f90_ ## types_m
   1
Error: Expecting END PROGRAM statement at (1)
libxc.f90:46:

module xc_f90_ ## lib_m
1
Error: Unclassifiable statement at (1)
libxc.f90:48.13:

  use xc_f90_ ## types_m
             1
Error: Syntax error in USE statement at (1)
libxc.f90:49.19:

  use libxc_funcs_m
                   1
libxc.f90:39.30:

    integer, pointer :: buffer
                              2
Error: USE statement at (1) cannot follow data declaration statement at (2)
libxc.f90:51.15:

  implicit none
               1
libxc.f90:39.30:

    integer, pointer :: buffer
                              2
Error: IMPLICIT NONE statement at (1) cannot follow data declaration statement at (2)
libxc.f90:53.8:

  public
        1
Error: PUBLIC statement at (1) is only allowed in the specification part of a module
libxc.f90:99.28:

    integer function xc_f90_ ## info_number(info)
                            1
Error: Expected formal argument list in function definition at (1)
libxc.f90:100.17:

      use xc_f90_ ## types_m
                 1
Error: Syntax error in USE statement at (1)
libxc.f90:101.6:

      type(xc_f90_ ## pointer_t), intent(in) :: info
      1
Error: Unclassifiable statement at (1)
libxc.f90:102.7:

    end function xc_f90_ ## info_number
       1
Error: Expecting END INTERFACE statement at (1)
libxc.f90:104.28:

    integer function xc_f90_ ## info_kind(info)
                            1
Internal Error at (1):
insert_bbt(): Duplicate key found!
make[7]: *** [libxc.lo] Error 1
make[6]: *** [all] Error 2
make[5]: *** [all-recursive] Error 1
make[4]: *** [all] Error 2
make[3]: *** [stamps/libxc-build-stamp] Error 2
make[2]: [all-local] Error 2 (ignored)
Checking build of libxc fallback
test -e stamps/libxc-install-stamp
make[2]: *** [all-local] Error 1
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2

While for the second case, they looks like

Code: Select all

gfortran -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include   -ffree-form -J/Users/aldoromero/Abinit/6.13.3-private/src/mods -O2 -mtune=native -march=native 
-mfpmath=sse -g -ffree-line-length-none  -c -o io.o io.F90
gfortran -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include   -ffree-form -J/Users/aldoromero/Abinit/6.13.3-private/src/mods -O2 -mtune=native -march=native 
-mfpmath=sse -g -ffree-line-length-none  -c -o iorho.o iorho.F90
gfortran -DHAVE_CONFIG_H -I. -I../.. -I../../src/incs -I../../src/incs -I/Users/aldoromero/Abinit/6.13.3-private/fallbacks/exports/include   -ffree-form -J/Users/aldoromero/Abinit/6.13.3-private/src/mods -O2 -mtune=native -march=native 
-mfpmath=sse -g -ffree-line-length-none  -c -o numeric.o numeric.F90
/var/folders/sd/7rq2vwcx7fd8stfzsvfnz9980000gn/T//ccFPt6Ue.s:172:no such instruction: `vmovsd LC2(%rip), %xmm0'
/var/folders/sd/7rq2vwcx7fd8stfzsvfnz9980000gn/T//ccFPt6Ue.s:174:no such instruction: `vcvtsi2sd %eax, %xmm2,%xmm2'
/var/folders/sd/7rq2vwcx7fd8stfzsvfnz9980000gn/T//ccFPt6Ue.s:175:no such instruction: `vdivsd %xmm2, %xmm0,%xmm2'
/var/folders/sd/7rq2vwcx7fd8stfzsvfnz9980000gn/T//ccFPt6Ue.s:179:no such instruction: `vmulsd LC3(%rip), %xmm2,%xmm0'
/var/folders/sd/7rq2vwcx7fd8stfzsvfnz9980000gn/T//ccFPt6Ue.s:180:no such instruction: `vmovsd %xmm2, (%rsp)'
/var/folders/sd/7rq2vwcx7fd8stfzsvfnz9980000gn/T//ccFPt6Ue.s:185:no such instruction: `vmovsd (%rsp), %xmm2'
/var/folders/sd/7rq2vwcx7fd8stfzsvfnz9980000gn/T//ccFPt6Ue.s:188:no such instruction: `vmulsd %xmm0, %xmm0,%xmm0'

I hope this helps. Thanks a lot!.

-aldo

aromero · Post by **aromero** » Tue Apr 24, 2012 9:36 am

Sorry, I forgot to include the config.log. Here is the first case.

aromero · Post by **aromero** » Tue Apr 24, 2012 9:37 am

Second case. Thanks.

Post by **pouillon** » Tue Apr 24, 2012 10:05 am

Looks like the default architecture of your GCC installation is not the one of your computer. You should reinstall the whole GCC suite paying a particular attention to the architecture.

aromero · Post by **aromero** » Tue Apr 24, 2012 11:42 am

I have reinstalled the gcc in lion after the xcode reinstallation and I am having exactly the same problem.

kaneod · Post by **kaneod** » Thu Apr 26, 2012 2:33 am

Hi,

Your config log is full of one particular kind of error that seems to be causing the Abinit configure script to choose the wrong kind of settings:

conftest.c:1: error: bad value (native) for -march= switch

Basically when configure tries to run a test on gcc it uses the flag -march=native which apparently isn't supported by the Apple LLVM compiler you're using. Clang is known not to support this, for example. My general advice for using OSX as a scientific platform is to compile a version of GCC (gcc, g++ and gfortran) solely for the purpose of building electronic structure codes, then go and compile your whole toolchain (fftw, blas, lapack, libxc, etc) with the custom gcc. The apple "GCC" compilers are just wrappers for their own LLVM implementation and cannot be trusted to behave like regular GNU tools.

It is normal for electronic structure codes to be quite touchy about compilers and the toolchain generally - I believe between Abinit and CASTEP, dozens of compiler bugs have been discovered over the years!

On my computers at home the custom gcc binaries all have a "46" suffix (gcc46, gfortran46, etc) so that I never have any ambiguity about what compiler is being used. Remember you really do have to compile all the fortran parts of the toolchain (including MPI) with the same version of gfortran to ensure compatibility. Possibly this is true for the C/C++ parts of the code as well. PM me if you want more details, I can also give you a build.ac that works on Lion once you have gcc built and installed.

dgontier · Post by **dgontier** » Fri Jun 08, 2012 4:42 pm

Hi,
I got the same problem ! I'm also running Lion Mac OS.

I can run make on fallback/sources/libxc-1.1.0.1/ with

Code: Select all

FCCPP=/usr/bin/cpp ./configure
make

and obtain :

Code: Select all

make  all-recursive
Making all in build
make[2]: Nothing to be done for `all'.
Making all in src
make  all-am
/bin/sh ../libtool --tag=FC   --mode=compile gfortran  -pipe -O3 -funroll-loops -ffast-math -ffree-line-length-none -c -o libxc.lo  libxc.f90
libtool: compile:  gfortran -pipe -O3 -funroll-loops -ffast-math -ffree-line-length-none -c libxc.f90 -o libxc.o
./libxc_master.F90:28:

module xc_f90_ ## types_m
1
Error: Unclassifiable statement at (1)
./libxc_master.F90:32.17:

  integer, public, parameter :: xc_f90_kind = selected_real_kind(14)
                 1
Error: PUBLIC attribute at (1) is not allowed outside of the specification part of a module
./libxc_master.F90:35.2:

  type xc_f90_ ## pointer_t
  1
Error: Unclassifiable statement at (1)
./libxc_master.F90:36.11:

    private
           1
Error: PRIVATE statement at (1) is only allowed in the specification part of a module
./libxc_master.F90:38.5:

  end type xc_f90_ ## pointer_t
     1
Error: Expecting END PROGRAM statement at (1)
./libxc_master.F90:40.3:

end module xc_f90_ ## types_m
   1
Error: Expecting END PROGRAM statement at (1)
./libxc_master.F90:44:

module xc_f90_ ## lib_m
1
Error: Unclassifiable statement at (1)
./libxc_master.F90:46.13:

  use xc_f90_ ## types_m
             1
Error: Syntax error in USE statement at (1)
./libxc_master.F90:47.19:

  use libxc_funcs_m
                   1
./libxc_master.F90:37.30:

    integer, pointer :: buffer
                              2
Error: USE statement at (1) cannot follow data declaration statement at (2)
./libxc_master.F90:49.15:

  implicit none
               1
./libxc_master.F90:37.30:

    integer, pointer :: buffer
                              2
Error: IMPLICIT NONE statement at (1) cannot follow data declaration statement at (2)
./libxc_master.F90:51.8:

  public
        1
Error: PUBLIC statement at (1) is only allowed in the specification part of a module
./libxc_master.F90:97.28:

    integer function xc_f90_ ## info_number(info)
                            1
Error: Expected formal argument list in function definition at (1)
./libxc_master.F90:98.17:

      use xc_f90_ ## types_m
                 1
Error: Syntax error in USE statement at (1)
./libxc_master.F90:99.6:

      type(xc_f90_ ## pointer_t), intent(in) :: info
      1
Error: Unclassifiable statement at (1)
./libxc_master.F90:100.7:

    end function xc_f90_ ## info_number
       1
Error: Expecting END INTERFACE statement at (1)
./libxc_master.F90:102.28:

    integer function xc_f90_ ## info_kind(info)
                            1
Internal Error at (1):
insert_bbt(): Duplicate key found!
make[3]: *** [libxc.lo] Error 1
make[2]: *** [all] Error 2
make[1]: *** [all-recursive] Error 1
make: *** [all] Error 2

Also, while I would be pleased with a pre-compiled version of Abinit, I cannot find any on the download page : http://www.abinit.org/downloads .

dgontier · Post by **dgontier** » Sat Jun 09, 2012 4:39 pm

Allright, it worked.

First thing is : whenever I try to use /usr/bin/cpp or /usr/bin/gcc, it fails. So I installed gcc-4, c++-4, (version 4.7) and so on.
First, I run :

Code: Select all

CC=gcc-4 CXX=c++-4 CPP=cpp-4 ./configure
make

and I get a first error when compiling libxc. Then, I look in the file ./fallbacks/config.mk to change the variable : TRUE_CPP=cpp ... into TRUE_CPP=cpp-4
now, a make should work !

murray21 · Post by **murray21** » Thu Jul 24, 2014 12:16 pm

As a developer, I am engaged in this and I find the same issue while running the latest version in Mountain Lion. I am getting a bunch of errors, I have tried to recreate and compile again, and nothing worked out. Thank you Kane, editing the configuration scripts did the trick for me and it is working great for me. I appreciate it.

Also, this blog windowssupportnow.com is helpful in resolving the windows problems.

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