diff --git a/src/COMPRESS/Install.sh b/src/COMPRESS/Install.sh old mode 100644 new mode 100755 diff --git a/src/CORESHELL/Install.sh b/src/CORESHELL/Install.sh old mode 100644 new mode 100755 diff --git a/src/Depend.sh b/src/Depend.sh old mode 100644 new mode 100755 index 9fe30e658325bbbf385e33e543065a1ab32eff44..a3f4e496673f3b8c896e1675fe13608c0ddd8960 --- 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 @@ -95,9 +96,8 @@ if (test $1 = "MOLECULE") then depend GPU depend KOKKOS depend USER-MISC - depend USER-OMP depend USER-FEP - depend USER-CGDNA + depend USER-OMP depend USER-INTEL fi diff --git a/src/GPU/Install.sh b/src/GPU/Install.sh old mode 100644 new mode 100755 diff --git a/src/Install.sh b/src/Install.sh old mode 100644 new mode 100755 diff --git a/src/KIM/Install.sh b/src/KIM/Install.sh old mode 100644 new mode 100755 diff --git a/src/KOKKOS/Install.sh b/src/KOKKOS/Install.sh old mode 100644 new mode 100755 diff --git a/src/LATTE/Install.sh b/src/LATTE/Install.sh old mode 100644 new mode 100755 index d034774e7aa3c06ad7885a9669949b4e21e2bcfb..73f8bc24cb02fa689591f97ca521f362cba7d277 --- a/src/LATTE/Install.sh +++ b/src/LATTE/Install.sh @@ -29,7 +29,7 @@ action () { # all package files with no dependencies for file in *.cpp *.h; do - action $file + test -f ${file} && action $file done # edit 2 Makefile.package files to include/exclude package info diff --git a/src/MEAM/Install.sh b/src/MEAM/Install.sh old mode 100644 new mode 100755 diff --git a/src/MPIIO/Install.sh b/src/MPIIO/Install.sh old mode 100644 new mode 100755 diff --git a/src/Make.sh b/src/Make.sh old mode 100644 new mode 100755 diff --git a/src/OPT/Install.sh b/src/OPT/Install.sh old mode 100644 new mode 100755 diff --git a/src/POEMS/Install.sh b/src/POEMS/Install.sh old mode 100644 new mode 100755 diff --git a/src/Package.sh b/src/Package.sh old mode 100644 new mode 100755 diff --git a/src/QEQ/Install.sh b/src/QEQ/Install.sh new file mode 100755 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 diff --git a/src/REAX/Install.sh b/src/REAX/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-AWPMD/Install.sh b/src/USER-AWPMD/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-CGDNA/Install.sh b/src/USER-CGDNA/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-CGSDK/Install.sh b/src/USER-CGSDK/Install.sh old mode 100644 new mode 100755 index 00f515b794bee82336ac36597bbbafe8a1c17de6..8e2432343dd74fec474044d06ed4ba0e0ca072c5 --- a/src/USER-CGSDK/Install.sh +++ b/src/USER-CGSDK/Install.sh @@ -28,8 +28,8 @@ action () { # list of files with optional dependcies -action angle_sdk.cpp angle_harmonic.cpp -action angle_sdk.h angle_harmonic.cpp +action angle_sdk.cpp +action angle_sdk.h action lj_sdk_common.h action pair_lj_sdk.cpp action pair_lj_sdk.h diff --git a/src/USER-FEP/Install.sh b/src/USER-FEP/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-H5MD/Install.sh b/src/USER-H5MD/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-INTEL/Install.sh b/src/USER-INTEL/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-MISC/Install.sh b/src/USER-MISC/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-MOLFILE/Install.sh b/src/USER-MOLFILE/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-NETCDF/Install.sh b/src/USER-NETCDF/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-OMP/Install.sh b/src/USER-OMP/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-OMP/hack_openmp_for_pgi.sh b/src/USER-OMP/hack_openmp_for_pgi.sh old mode 100644 new mode 100755 diff --git a/src/USER-PHONON/Install.sh b/src/USER-PHONON/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-QUIP/Install.sh b/src/USER-QUIP/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-SMD/Install.sh b/src/USER-SMD/Install.sh old mode 100644 new mode 100755 diff --git a/src/USER-VTK/Install.sh b/src/USER-VTK/Install.sh old mode 100644 new mode 100755