Ticket #41320: patch-tests-crystals.tcl.diff

File patch-tests-crystals.tcl.diff, 1.4 KB (added by dstrubbe (David Strubbe), 11 years ago)
  • tests/crystals.tcl

    old new  
    66       
    77        {scripting::filter::pwscfOutput -oc $env(XCRYSDEN_TOPDIR)/examples/PWSCF_files/EthAl001-2x2.out 2 {1 13   2 6   3 1}}
    88       
    9         {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/argonite.r1}
    10         {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/Pt322.r1}
    11         {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/polymer.r1}
    12 
    139        {scripting::filter::fhiInpini $env(XCRYSDEN_TOPDIR)/examples/FHI98MD_files/GaAs_inp.ini 3 {Gallium 31   Arsenic 33}}
    1410        {scripting::filter::fhiCoord  $env(XCRYSDEN_TOPDIR)/examples/FHI98MD_files/GaAsSurface_coord.out 2 {
    1511            Gallium 31      Arsenic 33      hy_1.25 1       hy_0.75 1}
     
    2117    } {
    2218        eval scripting::exec $job
    2319    }
     20
     21    if { $system(c95_exist) != 0 } {
     22        foreach job {
     23        {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/argonite.r1}
     24        {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/Pt322.r1}
     25        {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/polymer.r1}
     26        } {
     27        eval scripting::exec $job
     28        }
     29    }
    2430} {
    2531
    2632    #if { [xcIsActive c95] } {