kernel_example test fails

[miroi]

Hi, fresh master clone,

this test is failing also on MS Windows, https://ci.appveyor.com/project/miroi/xcfun

milias@lxir074.gsi.de:~/Work/qch/software/xcfun/.mkdir build
milias@lxir074.gsi.de:~/Work/qch/software/xcfun/.cd build/
milias@lxir074.gsi.de:~/Work/qch/software/xcfun/build/.cmake ..
-- The C compiler identification is GNU 4.7.2
-- The CXX compiler identification is GNU 4.7.2
-- Check for working C compiler: /usr/bin/cc
-- Check for working C compiler: /usr/bin/cc -- works
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Detecting C compile features
-- Detecting C compile features - done
-- Check for working CXX compiler: /usr/bin/c++
-- Check for working CXX compiler: /usr/bin/c++ -- works
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Detecting CXX compile features
-- Detecting CXX compile features - done
-- The Fortran compiler identification is GNU 4.7.2
-- Check for working Fortran compiler: /usr/bin/gfortran
-- Check for working Fortran compiler: /usr/bin/gfortran  -- works
-- Detecting Fortran compiler ABI info
-- Detecting Fortran compiler ABI info - done
-- Checking whether /usr/bin/gfortran supports Fortran 90
-- Checking whether /usr/bin/gfortran supports Fortran 90 -- yes
-- Configuring done
-- Generating done
-- Build files have been written to: /u/milias/Work/qch/software/xcfun/build
.
.
milias@lxir074.gsi.de:~/Work/qch/software/xcfun/build/.make VERBOSE=1 test 
Running tests...
/u/milias/bin/cmake-install/cmake-3.5.0-Linux-x86_64/bin/ctest --force-new-ctest-process 
Test project /u/milias/Work/qch/software/xcfun/build
    Start 1: testall
1/2 Test #1: testall ..........................   Passed    0.01 sec
    Start 2: kernel_example
2/2 Test #2: kernel_example ...................***Failed    0.02 sec

50% tests passed, 1 tests failed out of 2

Total Test time (real) =   0.36 sec

The following tests FAILED:
          2 - kernel_example (Failed)
Errors while running CTest
make: *** [test] Error 8
milias@lxir074.gsi.de:~/Work/qch/software/xcfun/build/.

[miroi]

milias@lxir074.gsi.de:~/Work/qch/software/xcfun/build/.kernel_example 
 XCFun DFT library Copyright 2009-2011 Ulf Ekstrom and contributors.
See http://dftlibs.org/xcfun/ for more information.

This is free software; see the source code for copying conditions.
There is ABSOLUTELY NO WARRANTY; not even for MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. For details see the documentation.
Scientific users of this library should cite
U. Ekstrom, L. Visscher, R. Bast, A. J. Thorvaldsen and K. Ruud;
J.Chem.Theor.Comp. 2010, DOI: 10.1021/ct100117s

 Setting up PBE
 The XC energy density is -0.86494159400066051     
 dE/dx_i for i =           1 is -0.97182634532897016     
 dE/dx_i for i =           2 is  -8.9803044914016916E-003
 dE/dx_i for i =           3 is  -1.3470456737102541E-002
 dE/dx_i for i =           4 is  -1.7960608982803383E-002
 d^2 E/dx_i dD_pert for i =           1 is  -2.0795476275887927     
 error: derivatives do not match reference numbers
STOP 1
milias@lxir074.gsi.de:~/Work/qch/software/xcfun/build/.

[bast]

I can confirm this with GNU. The last number does not match reference in the 6th digit.