diff --git a/src/Depend.sh b/src/Depend.sh index 9fe30e658325bbbf385e33e543065a1ab32eff44..b6d9c70f13d96028f56cd77d26bb1aafcf56aab9 100644 --- a/src/Depend.sh +++ b/src/Depend.sh @@ -87,6 +87,7 @@ if (test $1 = "MANYBODY") then depend GPU depend KOKKOS depend OPT + depend QEQ depend USER-MISC depend USER-OMP fi diff --git a/src/QEQ/Install.sh b/src/QEQ/Install.sh new file mode 100644 index 0000000000000000000000000000000000000000..334be24e4bc0208b4640ca05829ef6e20ba39c03 --- /dev/null +++ b/src/QEQ/Install.sh @@ -0,0 +1,46 @@ +# Install/unInstall package files in LAMMPS +# mode = 0/1/2 for uninstall/install/update + +# this is default Install.sh for all packages +# if package has an auxiliary library or a file with a dependency, +# then package dir has its own customized Install.sh + +mode=$1 + +# enforce using portable C locale +LC_ALL=C +export LC_ALL + +# arg1 = file, arg2 = file it depends on + +action () { + if (test $mode = 0) then + rm -f ../$1 + elif (! cmp -s $1 ../$1) then + if (test -z "$2" || test -e ../$2) then + cp $1 .. + if (test $mode = 2) then + echo " updating src/$1" + fi + fi + elif (test -n "$2") then + if (test ! -e ../$2) then + rm -f ../$1 + fi + fi +} + +# all package files with dependencies + +action fix_qeq.cpp +action fix_qeq.h +action fix_qeq_dynamic.cpp +action fix_qeq_dynamic.h +action fix_qeq_fire.cpp pair_comb.h +action fix_qeq_fire.h pair_comb.h +action fix_qeq_point.cpp +action fix_qeq_point.h +action fix_qeq_shielded.cpp +action fix_qeq_shielded.h +action fix_qeq_slater.cpp +action fix_qeq_slater.h