build system support: fix sgcmc may only be compiled if EAM is available

cmake/CMakeLists.txt

@@ -668,7 +668,7 @@ endif()
 # packages which selectively include variants based on enabled styles
 # e.g. accelerator packages
 ######################################################################
-foreach(PKG_WITH_INCL CORESHELL DPD-SMOOTH MISC PHONON QEQ OPENMP KOKKOS OPT INTEL GPU)
+foreach(PKG_WITH_INCL CORESHELL DPD-SMOOTH MC MISC PHONON QEQ OPENMP KOKKOS OPT INTEL GPU)
   if(PKG_${PKG_WITH_INCL})
     include(Packages/${PKG_WITH_INCL})
   endif()

cmake/Modules/Packages/MC.cmake

@@ -0,0 +1,9 @@
+# fix sgcmc may only be installed if also the EAM pair style from MANYBODY is installed
+if(NOT PKG_MANYBODY)
+  get_property(LAMMPS_FIX_HEADERS GLOBAL PROPERTY FIX)
+  list(REMOVE_ITEM LAMMPS_FIX_HEADERS ${LAMMPS_SOURCE_DIR}/MC/fix_sgcmc.h)
+  set_property(GLOBAL PROPERTY FIX "${LAMMPS_FIX_HEADERS}")
+  get_target_property(LAMMPS_SOURCES lammps SOURCES)
+  list(REMOVE_ITEM LAMMPS_SOURCES ${LAMMPS_SOURCE_DIR}/MC/fix_sgcmc.cpp)
+  set_property(TARGET lammps PROPERTY SOURCES "${LAMMPS_SOURCES}")
+endif()

src/.gitignore

@@ -920,6 +920,8 @@
 /fix_rigid_nvt_small.h
 /fix_rigid_small.cpp
 /fix_rigid_small.h
+/fix_sgcmc.cpp
+/fix_sgcmc.h
 /fix_shake.cpp
 /fix_shake.h
 /fix_shardlow.cpp

src/MC/Install.sh

@@ -0,0 +1,63 @@
+# 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 no dependencies
+
+for file in *.cpp *.h; do
+    test -f ${file} && action $file
+done
+
+
+action fix_atom_swap.cpp
+action fix_atom_swap.h
+action fix_bond_break.cpp
+action fix_bond_break.h
+action fix_bond_create_angle.cpp
+action fix_bond_create_angle.h
+action fix_bond_create.cpp
+action fix_bond_create.h
+action fix_bond_swap.cpp
+action fix_bond_swap.h
+action fix_charge_regulation.cpp
+action fix_charge_regulation.h
+action fix_gcmc.cpp
+action fix_gcmc.h
+action fix_mol_swap.cpp
+action fix_mol_swap.h
+action fix_sgcmc.cpp   pair_eam.cpp
+action fix_sgcmc.h     pair_eam.h
+action fix_tfmc.cpp
+action fix_tfmc.h
+action fix_widom.cpp
+action fix_widom.h
+action pair_dsmc.cpp
+action pair_dsmc.h