build system and maintenance updates
This commit is contained in:
2
.github/CODEOWNERS
vendored
2
.github/CODEOWNERS
vendored
@ -72,6 +72,8 @@ src/MC/fix_sgcmc.* @athomps
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src/REAXFF/compute_reaxff_atom.* @rbberger
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src/REAXFF/compute_reaxff_atom.* @rbberger
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src/KOKKOS/compute_reaxff_atom_kokkos.* @rbberger
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src/KOKKOS/compute_reaxff_atom_kokkos.* @rbberger
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src/REPLICA/fix_pimd_langevin.* @Yi-FanLi
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src/REPLICA/fix_pimd_langevin.* @Yi-FanLi
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src/DPD-BASIC/pair_dpd_coul_slater_long.* @Eddy-Barraud
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src/GPU/pair_dpd_coul_slater_long.* @Eddy-Barraud
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# core LAMMPS classes
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# core LAMMPS classes
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src/lammps.* @sjplimp
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src/lammps.* @sjplimp
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@ -689,7 +689,7 @@ endif()
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# packages which selectively include variants based on enabled styles
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# packages which selectively include variants based on enabled styles
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# e.g. accelerator packages
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# e.g. accelerator packages
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######################################################################
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######################################################################
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foreach(PKG_WITH_INCL CORESHELL DPD-SMOOTH MC MISC PHONON QEQ OPENMP KOKKOS OPT INTEL GPU)
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foreach(PKG_WITH_INCL CORESHELL DPD-BASIC DPD-SMOOTH MC MISC PHONON QEQ OPENMP KOKKOS OPT INTEL GPU)
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if(PKG_${PKG_WITH_INCL})
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if(PKG_${PKG_WITH_INCL})
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include(Packages/${PKG_WITH_INCL})
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include(Packages/${PKG_WITH_INCL})
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endif()
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endif()
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2
src/.gitignore
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2
src/.gitignore
vendored
@ -1704,6 +1704,8 @@
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/pair_dpd.h
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/pair_dpd.h
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/pair_dpd_tstat.cpp
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/pair_dpd_tstat.cpp
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/pair_dpd_tstat.h
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/pair_dpd_tstat.h
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/pair_dpd_coul_slater_long.cpp
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/pair_dpd_coul_slater_long.h
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/pair_dpd_ext.cpp
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/pair_dpd_ext.cpp
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/pair_dpd_ext.h
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/pair_dpd_ext.h
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/pair_dpd_ext_tstat.cpp
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/pair_dpd_ext_tstat.cpp
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39
src/DPD-BASIC/Install.sh
Executable file
39
src/DPD-BASIC/Install.sh
Executable file
@ -0,0 +1,39 @@
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# Install/unInstall package files in LAMMPS
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# mode = 0/1/2 for uninstall/install/update
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mode=$1
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# enforce using portable C locale
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LC_ALL=C
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export LC_ALL
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# arg1 = file, arg2 = file it depends on
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action () {
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if (test $mode = 0) then
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rm -f ../$1
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elif (! cmp -s $1 ../$1) then
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if (test -z "$2" || test -e ../$2) then
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cp $1 ..
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if (test $mode = 2) then
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echo " updating src/$1"
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fi
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fi
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elif (test -n "$2") then
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if (test ! -e ../$2) then
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rm -f ../$1
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fi
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fi
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}
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# list of files with optional dependcies
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action pair_dpd_coul_slater_long.cpp pppm.cpp
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action pair_dpd_coul_slater_long.h pppm.h
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action pair_dpd.cpp
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action pair_dpd_ext.cpp
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action pair_dpd_ext.h
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action pair_dpd_ext_tstat.cpp
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action pair_dpd_ext_tstat.h
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action pair_dpd.h
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action pair_dpd_tstat.cpp
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action pair_dpd_tstat.h
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@ -116,6 +116,7 @@ if (test $1 = "KSPACE") then
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depend CG-SPICA
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depend CG-SPICA
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depend CORESHELL
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depend CORESHELL
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depend DIELECTRIC
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depend DIELECTRIC
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depend DPD-BASIC
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depend GPU
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depend GPU
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depend KOKKOS
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depend KOKKOS
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depend OPT
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depend OPT
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