problem with configuring Abinit with libXC on MacOs

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problem with configuring Abinit with libXC on MacOs

Post by marchal » Mon Oct 10, 2016 3:06 pm

Dear all,

I am quite new in the abinit community and try to install abinit on MacOsX (Mavericks).
I would like to install it with libXC support, intel fortran compiler and GCC.

After compiling LibXC, I tried to first configure Abinit8.0.8 with the following commang:
../configure --prefix=/Users/adminclient/compile/abinit/abinit-8.0.8/build FC=/opt/app/darwin-x86/exec-mavericks/openmpi/openmpi-1.8.2-ifort/bin/mpif90 CC=/opt/app/darwin-x86/exec-mavericks/openmpi/openmpi-1.8.2-ifort/bin/mpicc FCFLAGS_EXTRA="-ffree-line-length-none" --enable-mpi --enable-mpi-io --with-dft-flavor="libxc" --with-libxc-incs=-I/Users/adminclient/compile/abinit/libxc-2.2.2/include --with-libxc-libs="-L/Users/adminclient/compile/abinit/libxc-2.2.2/lib -lxc -lxcf90"

and I get the following error:
configure: WARNING: package: libxc - preq= - working=no - incs=-I/Users/adminclient/compile/abinit/libxc-2.2.2/include libs=-L/Users/adminclient/compile/abinit/libxc-2.2.2/lib -lxc -lxcf90

| 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/build/ 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/build/ for |
| details. |
| |

configure: error: external libxc support does not work

You will find attached the config.log

Can anyone help me please


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Last edited by marchal on Wed Oct 12, 2016 4:36 pm, edited 1 time in total.

Posts: 7
Joined: Fri Aug 07, 2015 6:53 pm

Re: problem with configuring Abinit with libXC on MacOs

Post by snow » Wed Oct 12, 2016 2:03 am

Hi Marchal,

I have a very similar problem but not on MacOS, and I suspect MacOS is unrelated. Looks like maybe a config problem with the libxc compile, but I don't know, I'm stuck on the same problem. Here's my thread:

Let me know if you figure anything out. And good luck


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Re: problem with configuring Abinit with libXC on MacOs

Post by pouillon » Thu Nov 24, 2016 12:11 pm

Mac OS is a bit picky about library order. Just reverse "-lxc -lxcf90" to "-lxcf90 -lxc" and it should work.
Yann Pouillon
Simune Atomistics
Donostia-San Sebastián, Spain

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