--- tests/crystals.tcl.orig 2013-11-11 00:23:27.000000000 -0500 +++ tests/crystals.tcl 2013-11-11 00:17:15.000000000 -0500 @@ -6,10 +6,6 @@ {scripting::filter::pwscfOutput -oc $env(XCRYSDEN_TOPDIR)/examples/PWSCF_files/EthAl001-2x2.out 2 {1 13 2 6 3 1}} - {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/argonite.r1} - {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/Pt322.r1} - {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/polymer.r1} - {scripting::filter::fhiInpini $env(XCRYSDEN_TOPDIR)/examples/FHI98MD_files/GaAs_inp.ini 3 {Gallium 31 Arsenic 33}} {scripting::filter::fhiCoord $env(XCRYSDEN_TOPDIR)/examples/FHI98MD_files/GaAsSurface_coord.out 2 { Gallium 31 Arsenic 33 hy_1.25 1 hy_0.75 1} @@ -21,6 +17,16 @@ } { eval scripting::exec $job } + + if { $system(c95_exist) != 0 } { + foreach job { + {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/argonite.r1} + {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/Pt322.r1} + {scripting::filter::crystalInput $env(XCRYSDEN_TOPDIR)/examples/CRYSTALxx_input_files/polymer.r1} + } { + eval scripting::exec $job + } + } } { #if { [xcIsActive c95] } {