diff --git a/src/GPU/Install.sh b/src/GPU/Install.sh index b357e340e..9615297ca 100644 --- a/src/GPU/Install.sh +++ b/src/GPU/Install.sh @@ -1,186 +1,186 @@ # Install/unInstall package files in LAMMPS # edit 2 Makefile.package files to include/exclude GPU info # do not install child files if parent does not exist if (test $1 = 1) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*gpu[^ \t]* //' ../Makefile.package sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/gpu |' ../Makefile.package sed -i -e 's|^PKG_LIB =[ \t]*|&-lgpu |' ../Makefile.package sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(gpu_SYSINC) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(gpu_SYSLIB) |' ../Makefile.package sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(gpu_SYSPATH) |' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*gpu.*$/d' ../Makefile.package.settings # multiline form needed for BSD sed on Macs sed -i -e '4 i \ -include ..\/..\/lib\/gpu\/Makefile.lammps\ +include ..\/..\/lib\/gpu\/Makefile.lammps ' ../Makefile.package.settings fi if (test -e ../pair_yukawa.cpp) then cp pair_yukawa_gpu.cpp .. cp pair_yukawa_gpu.h .. fi if (test -e ../pair_table.cpp) then cp pair_table_gpu.cpp .. cp pair_table_gpu.h .. fi if (test -e ../pair_buck.cpp) then cp pair_buck_gpu.cpp .. cp pair_buck_gpu.h .. fi if (test -e ../pair_buck_coul_cut.cpp) then cp pair_buck_coul_cut_gpu.cpp .. cp pair_buck_coul_cut_gpu.h .. fi if (test -e ../pair_buck_coul_long.cpp) then cp pair_buck_coul_long_gpu.cpp .. cp pair_buck_coul_long_gpu.h .. fi if (test -e ../pair_eam.cpp) then cp pair_eam_gpu.cpp .. cp pair_eam_gpu.h .. cp pair_eam_alloy_gpu.cpp .. cp pair_eam_alloy_gpu.h .. cp pair_eam_fs_gpu.cpp .. cp pair_eam_fs_gpu.h .. fi if (test -e ../pair_gayberne.cpp) then cp pair_gayberne_gpu.cpp .. cp pair_gayberne_gpu.h .. cp pair_resquared_gpu.cpp .. cp pair_resquared_gpu.h .. fi if (test -e ../pair_lj_cut_coul_long.cpp) then cp pair_lj_cut_coul_long_gpu.cpp .. cp pair_lj_cut_coul_long_gpu.h .. fi if (test -e ../pair_lj_class2.cpp) then cp pair_lj_class2_gpu.cpp .. cp pair_lj_class2_gpu.h .. fi if (test -e ../pair_lj_class2_coul_long.cpp) then cp pair_lj_class2_coul_long_gpu.cpp .. cp pair_lj_class2_coul_long_gpu.h .. fi if (test -e ../pair_lj_charmm_coul_long.cpp) then cp pair_lj_charmm_coul_long_gpu.cpp .. cp pair_lj_charmm_coul_long_gpu.h .. fi if (test -e ../pair_coul_long.cpp) then cp pair_coul_long_gpu.cpp .. cp pair_coul_long_gpu.h .. fi if (test -e ../pair_lj_sdk.cpp) then cp pair_lj_sdk_gpu.cpp .. cp pair_lj_sdk_gpu.h .. fi if (test -e ../pair_lj_sdk_coul_long.cpp) then cp pair_lj_sdk_coul_long_gpu.cpp .. cp pair_lj_sdk_coul_long_gpu.h .. fi if (test -e ../pppm.cpp) then cp pppm_gpu.cpp .. cp pppm_gpu.h .. fi cp pair_lj_cut_gpu.cpp .. cp pair_morse_gpu.cpp .. cp pair_lj96_cut_gpu.cpp .. cp pair_lj_expand_gpu.cpp .. cp pair_lj_cut_coul_cut_gpu.cpp .. cp fix_gpu.cpp .. cp pair_lj_cut_gpu.h .. cp pair_morse_gpu.h .. cp pair_lj96_cut_gpu.h .. cp pair_lj_expand_gpu.h .. cp pair_lj_cut_coul_cut_gpu.h .. cp fix_gpu.h .. cp gpu_extra.h .. elif (test $1 = 0) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*gpu[^ \t]* //' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*gpu.*$/d' ../Makefile.package.settings fi rm -f ../pair_buck_coul_cut_gpu.cpp rm -f ../pair_buck_coul_long_gpu.cpp rm -f ../pair_buck_gpu.cpp rm -f ../pair_coul_long_gpu.cpp rm -f ../pair_eam_alloy_gpu.cpp rm -f ../pair_eam_fs_gpu.cpp rm -f ../pair_eam_gpu.cpp rm -f ../pair_gayberne_gpu.cpp rm -f ../pair_lj96_cut_gpu.cpp rm -f ../pair_lj_charmm_coul_long_gpu.cpp rm -f ../pair_lj_class2_coul_long_gpu.cpp rm -f ../pair_lj_class2_gpu.cpp rm -f ../pair_lj_cut_coul_cut_gpu.cpp rm -f ../pair_lj_cut_coul_long_gpu.cpp rm -f ../pair_lj_cut_gpu.cpp rm -f ../pair_lj_expand_gpu.cpp rm -f ../pair_lj_sdk_coul_long_gpu.cpp rm -f ../pair_lj_sdk_gpu.cpp rm -f ../pair_morse_gpu.cpp rm -f ../pair_resquared_gpu.cpp rm -f ../pair_table_gpu.cpp rm -f ../pair_yukawa_gpu.cpp rm -f ../pppm_gpu.cpp rm -f ../fix_gpu.cpp rm -f ../pair_buck_coul_cut_gpu.h rm -f ../pair_buck_coul_long_gpu.h rm -f ../pair_buck_gpu.h rm -f ../pair_coul_long_gpu.h rm -f ../pair_eam_alloy_gpu.h rm -f ../pair_eam_fs_gpu.h rm -f ../pair_eam_gpu.h rm -f ../pair_gayberne_gpu.h rm -f ../pair_lj96_cut_gpu.h rm -f ../pair_lj_charmm_coul_long_gpu.h rm -f ../pair_lj_class2_coul_long_gpu.h rm -f ../pair_lj_class2_gpu.h rm -f ../pair_lj_cut_coul_cut_gpu.h rm -f ../pair_lj_cut_coul_long_gpu.h rm -f ../pair_lj_cut_gpu.h rm -f ../pair_lj_expand_gpu.h rm -f ../pair_lj_sdk_coul_long_gpu.h rm -f ../pair_lj_sdk_gpu.h rm -f ../pair_morse_gpu.h rm -f ../pair_resquared_gpu.h rm -f ../pair_table_gpu.h rm -f ../pair_yukawa_gpu.h rm -f ../pppm_gpu.h rm -f ../fix_gpu.h rm -f ../gpu_extra.h fi diff --git a/src/KIM/Install.sh b/src/KIM/Install.sh index 8e089f1dd..c485cf969 100644 --- a/src/KIM/Install.sh +++ b/src/KIM/Install.sh @@ -1,37 +1,37 @@ # Install/unInstall package files in LAMMPS # edit 2 Makefile.package files to include/exclude package info if (test $1 = 1) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*kim[^ \t]* //' ../Makefile.package sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(kim_SYSINC) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(kim_SYSLIB) |' ../Makefile.package sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(kim_SYSPATH) |' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*KIM.*$/d' ../Makefile.package.settings # multiline form needed for BSD sed on Macs - sed -i '4 i \ -include ..\/KIM\/Makefile.lammps\ + sed -i -e '4 i \ +include ..\/KIM\/Makefile.lammps ' ../Makefile.package.settings fi cp pair_kim.cpp .. cp pair_kim.h .. elif (test $1 = 0) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*kim[^ \t]* //' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*KIM.*$/d' ../Makefile.package.settings fi rm -f ../pair_kim.cpp rm -f ../pair_kim.h fi diff --git a/src/MEAM/Install.sh b/src/MEAM/Install.sh index 6481348e6..09b1b89d1 100644 --- a/src/MEAM/Install.sh +++ b/src/MEAM/Install.sh @@ -1,42 +1,42 @@ # Install/unInstall package files in LAMMPS # edit 2 Makefile.package files to include/exclude package info if (test $1 = 1) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*meam[^ \t]* //' ../Makefile.package sed -i -e 's|^PKG_INC =[ \t]*|&-I../../lib/meam |' ../Makefile.package sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/meam |' ../Makefile.package sed -i -e 's|^PKG_LIB =[ \t]*|&-lmeam |' ../Makefile.package sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(meam_SYSINC) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(meam_SYSLIB) |' ../Makefile.package sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(meam_SYSPATH) |' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*meam.*$/d' ../Makefile.package.settings # multiline form needed for BSD sed on Macs sed -i -e '4 i \ -include ..\/..\/lib\/meam\/Makefile.lammps\ +include ..\/..\/lib\/meam\/Makefile.lammps ' ../Makefile.package.settings fi cp pair_meam.cpp .. cp pair_meam.h .. elif (test $1 = 0) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*meam[^ \t]* //' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*meam.*$/d' ../Makefile.package.settings fi rm -f ../pair_meam.cpp rm -f ../pair_meam.h fi diff --git a/src/POEMS/Install.sh b/src/POEMS/Install.sh index a7f228fca..e5f5d2bd6 100644 --- a/src/POEMS/Install.sh +++ b/src/POEMS/Install.sh @@ -1,39 +1,39 @@ # Install/unInstall package files in LAMMPS # edit 2 Makefile.package files to include/exclude POEMS info if (test $1 = 1) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*poems[^ \t]* //' ../Makefile.package sed -i -e 's|^PKG_INC =[ \t]*|&-I../../lib/poems |' ../Makefile.package sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/poems |' ../Makefile.package sed -i -e 's|^PKG_LIB =[ \t]*|&-lpoems |' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*poems.*$/d' ../Makefile.package.settings # multiline form needed for BSD sed on Macs sed -i -e '4 i \ -include ..\/..\/lib\/poems\/Makefile.lammps\ +include ..\/..\/lib\/poems\/Makefile.lammps ' ../Makefile.package.settings fi cp fix_poems.cpp .. cp fix_poems.h .. elif (test $1 = 0) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*poems[^ \t]* //' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*poems.*$/d' ../Makefile.package.settings fi rm -f ../fix_poems.cpp rm -f ../fix_poems.h fi diff --git a/src/REAX/Install.sh b/src/REAX/Install.sh index d1a4587d7..0cb94a6b7 100644 --- a/src/REAX/Install.sh +++ b/src/REAX/Install.sh @@ -1,48 +1,48 @@ # Install/unInstall package files in LAMMPS # edit 2 Makefile.package files to include/exclude REAX info if (test $1 = 1) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*reax[^ \t]* //' ../Makefile.package sed -i -e 's|^PKG_INC =[ \t]*|&-I../../lib/reax |' ../Makefile.package sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/reax |' ../Makefile.package sed -i -e 's|^PKG_LIB =[ \t]*|&-lreax |' ../Makefile.package sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(reax_SYSINC) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(reax_SYSLIB) |' ../Makefile.package sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(reax_SYSPATH) |' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*reax.*$/d' ../Makefile.package.settings # multiline form needed for BSD sed on Macs sed -i -e '4 i \ -include ..\/..\/lib\/reax\/Makefile.lammps\ +include ..\/..\/lib\/reax\/Makefile.lammps ' ../Makefile.package.settings fi cp pair_reax.cpp .. cp pair_reax.h .. cp pair_reax_fortran.h .. cp fix_reax_bonds.h .. cp fix_reax_bonds.cpp .. elif (test $1 = 0) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*reax[^ \t]* //' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*reax.*$/d' ../Makefile.package.settings fi rm -f ../pair_reax.cpp rm -f ../pair_reax.h rm -f ../pair_reax_fortran.h rm -f ../fix_reax_bonds.h rm -f ../fix_reax_bonds.cpp fi diff --git a/src/USER-ATC/Install.sh b/src/USER-ATC/Install.sh index aea2e9607..1dc236491 100755 --- a/src/USER-ATC/Install.sh +++ b/src/USER-ATC/Install.sh @@ -1,40 +1,40 @@ # Install/unInstall package files in LAMMPS # edit 2 Makefile.package files to include/exclude ATC info if (test $1 = 1) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*atc[^ \t]* //' ../Makefile.package sed -i -e 's|^PKG_INC =[ \t]*|&-I../../lib/atc |' ../Makefile.package sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/atc |' ../Makefile.package sed -i -e 's|^PKG_LIB =[ \t]*|&-latc |' ../Makefile.package sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(user-atc_SYSINC) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(user-atc_SYSLIB) |' ../Makefile.package sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(user-atc_SYSPATH) |' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*atc.*$/d' ../Makefile.package.settings # multiline form needed for BSD sed on Macs sed -i -e '4 i \ -include ..\/..\/lib\/atc\/Makefile.lammps\ +include ..\/..\/lib\/atc\/Makefile.lammps ' ../Makefile.package.settings fi cp fix_atc.h .. cp fix_atc.cpp .. elif (test $1 = 0) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*atc[^ \t]* //' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*atc.*$/d' ../Makefile.package.settings fi rm -f ../fix_atc.h rm -f ../fix_atc.cpp fi diff --git a/src/USER-AWPMD/Install.sh b/src/USER-AWPMD/Install.sh index ceed71fce..47db11411 100644 --- a/src/USER-AWPMD/Install.sh +++ b/src/USER-AWPMD/Install.sh @@ -1,49 +1,49 @@ # Install/unInstall package files in LAMMPS # edit 2 Makefile.package files to include/exclude AWPMD info if (test $1 = 1) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*awpmd[^ \t]* //g' ../Makefile.package sed -i -e 's|^PKG_INC =[ \t]*|&-I../../lib/awpmd/ivutils/include -I../../lib/awpmd/systems/interact |' ../Makefile.package sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/awpmd |' ../Makefile.package sed -i -e 's|^PKG_LIB =[ \t]*|&-lawpmd |' ../Makefile.package sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(user-awpmd_SYSPATH) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(user-awpmd_SYSLIB) |' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*awpmd.*$/d' ../Makefile.package.settings # multiline form needed for BSD sed on Macs sed -i -e '4 i \ -include ..\/..\/lib\/awpmd\/Makefile.lammps\ +include ..\/..\/lib\/awpmd\/Makefile.lammps ' ../Makefile.package.settings fi cp atom_vec_wavepacket.cpp .. cp fix_nve_awpmd.cpp .. cp pair_awpmd_cut.cpp .. cp atom_vec_wavepacket.h .. cp fix_nve_awpmd.h .. cp pair_awpmd_cut.h .. elif (test $1 = 0) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*awpmd[^ \t]* //g' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*awpmd.*$/d' ../Makefile.package.settings fi rm -f ../atom_vec_wavepacket.cpp rm -f ../fix_nve_awpmd.cpp rm -f ../pair_awpmd_cut.cpp rm -f ../atom_vec_wavepacket.h rm -f ../fix_nve_awpmd.h rm -f ../pair_awpmd_cut.h fi diff --git a/src/USER-COLVARS/Install.sh b/src/USER-COLVARS/Install.sh index fa4ea390d..ad21cd182 100755 --- a/src/USER-COLVARS/Install.sh +++ b/src/USER-COLVARS/Install.sh @@ -1,45 +1,45 @@ # Install/unInstall package files in LAMMPS # edit 2 Makefile.package files to include/exclude CUDA info # do not install child files if parent does not exist if (test $1 = 1) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*colvars[^ \t]* //g' ../Makefile.package sed -i -e 's|^PKG_INC =[ \t]*|&-I..\/..\/lib\/colvars |' ../Makefile.package sed -i -e 's|^PKG_PATH =[ \t]*|&-L..\/..\/lib\/colvars |' ../Makefile.package sed -i -e 's|^PKG_LIB =[ \t]*|&-lcolvars |' ../Makefile.package sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(colvars_SYSINC) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(colvars_SYSLIB) |' ../Makefile.package sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(colvars_SYSPATH) |' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*colvars.*$/d' ../Makefile.package.settings # multiline form needed for BSD sed on Macs sed -i -e '4 i \ -include ..\/..\/lib\/colvars\/Makefile.lammps\ +include ..\/..\/lib\/colvars\/Makefile.lammps ' ../Makefile.package.settings fi cp colvarproxy_lammps.h .. cp colvarproxy_lammps.cpp .. cp fix_colvars.h .. cp fix_colvars.cpp .. elif (test $1 = 0) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*colvars[^ \t]* //g' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*colvars.*$/d' ../Makefile.package.settings fi rm -f ../colvarproxy_lammps.h rm -f ../colvarproxy_lammps.cpp rm -f ../fix_colvars.h rm -f ../fix_colvars.cpp fi diff --git a/src/USER-CUDA/Install.sh b/src/USER-CUDA/Install.sh index 739a9914c..af1d3a7f0 100755 --- a/src/USER-CUDA/Install.sh +++ b/src/USER-CUDA/Install.sh @@ -1,362 +1,362 @@ # Install/unInstall package files in LAMMPS # edit 2 Makefile.package files to include/exclude CUDA info # do not install child files if parent does not exist if (test $1 = 1) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*cuda[^ \t]* //g' ../Makefile.package sed -i -e 's/[^ \t]*CUDA[^ \t]* //g' ../Makefile.package sed -i -e 's|^PKG_INC =[ \t]*|&-I..\/..\/lib\/cuda -DLMP_USER_CUDA |' ../Makefile.package sed -i -e 's|^PKG_PATH =[ \t]*|&-L..\/..\/lib\/cuda |' ../Makefile.package sed -i -e 's|^PKG_LIB =[ \t]*|&-llammpscuda |' ../Makefile.package sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(user-cuda_SYSINC) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(user-cuda_SYSLIB) |' ../Makefile.package sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(user-cuda_SYSPATH) |' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*cuda.*$/d' ../Makefile.package.settings # multiline form needed for BSD sed on Macs sed -i -e '4 i \ -include ..\/..\/lib\/cuda\/Makefile.lammps\ +include ..\/..\/lib\/cuda\/Makefile.lammps ' ../Makefile.package.settings fi # force rebuild of files with LMP_USER_CUDA switch touch ../accelerator_cuda.h if (test -e ../atom_vec_angle.cpp) then cp atom_vec_angle_cuda.cpp .. cp atom_vec_angle_cuda.h .. fi if (test -e ../atom_vec_full.cpp) then cp atom_vec_full_cuda.cpp .. cp atom_vec_full_cuda.h .. fi if (test -e ../fix_freeze.cpp) then cp fix_freeze_cuda.cpp .. cp fix_freeze_cuda.h .. fi if (test -e ../pair_born_coul_long.cpp) then cp pair_born_coul_long_cuda.cpp .. cp pair_born_coul_long_cuda.h .. fi if (test -e ../pair_buck_coul_long.cpp) then cp pair_buck_coul_long_cuda.cpp .. cp pair_buck_coul_long_cuda.h .. fi if (test -e ../pair_lj_sdk.cpp) then cp pair_lj_sdk_cuda.cpp .. # cp pair_lj_sdk_coul_cut_cuda.cpp .. # cp pair_lj_sdk_coul_debye_cuda.cpp .. cp pair_lj_sdk_cuda.h .. # cp pair_lj_sdk_coul_cut_cuda.h .. # cp pair_lj_sdk_coul_debye_cuda.h .. fi if (test -e ../pair_lj_sdk_coul_long.cpp) then cp pair_lj_sdk_coul_long_cuda.cpp .. cp pair_lj_sdk_coul_long_cuda.h .. fi if (test -e ../pppm.cpp) then cp pppm_cuda.cpp .. cp fft3d_cuda.cpp .. cp fft3d_wrap_cuda.cpp .. cp pppm_cuda.h .. cp fft3d_cuda.h .. cp fft3d_wrap_cuda.h .. cp pair_lj_cut_coul_long_cuda.cpp .. cp pair_lj_cut_coul_long_cuda.h .. fi if (test -e ../pair_eam.cpp) then cp pair_eam_alloy_cuda.cpp .. cp pair_eam_cuda.cpp .. cp pair_eam_fs_cuda.cpp .. cp pair_eam_alloy_cuda.h .. cp pair_eam_cuda.h .. cp pair_eam_fs_cuda.h .. cp pair_sw_cuda.h .. cp pair_sw_cuda.cpp .. cp pair_tersoff_cuda.h .. cp pair_tersoff_cuda.cpp .. cp pair_tersoff_zbl_cuda.h .. cp pair_tersoff_zbl_cuda.cpp .. fi if (test -e ../pair_gran_hooke.cpp) then cp pair_gran_hooke_cuda.cpp .. cp pair_gran_hooke_cuda.h .. fi if (test -e ../pair_lj_charmm_coul_charmm.cpp) then cp pair_lj_charmm_coul_charmm_cuda.cpp .. cp pair_lj_charmm_coul_charmm_implicit_cuda.cpp .. cp pair_lj_charmm_coul_charmm_cuda.h .. cp pair_lj_charmm_coul_charmm_implicit_cuda.h .. if (test -e ../pair_lj_charmm_coul_long.cpp) then cp pair_lj_charmm_coul_long_cuda.cpp .. cp pair_lj_charmm_coul_long_cuda.h .. fi fi if (test -e ../pair_lj_class2.cpp) then cp pair_lj_class2_coul_cut_cuda.cpp .. cp pair_lj_class2_cuda.cpp .. cp pair_lj_class2_coul_cut_cuda.h .. cp pair_lj_class2_cuda.h .. if (test -e ../pair_lj_class2_coul_long.cpp) then cp pair_lj_class2_coul_long_cuda.cpp .. cp pair_lj_class2_coul_long_cuda.h .. fi fi cp atom_vec_atomic_cuda.cpp .. cp atom_vec_charge_cuda.cpp .. cp comm_cuda.cpp .. cp compute_pe_cuda.cpp .. cp compute_pressure_cuda.cpp .. cp compute_temp_cuda.cpp .. cp compute_temp_partial_cuda.cpp .. cp domain_cuda.cpp .. cp fix_addforce_cuda.cpp .. cp fix_aveforce_cuda.cpp .. cp fix_enforce2d_cuda.cpp .. cp fix_gravity_cuda.cpp .. cp fix_nh_cuda.cpp .. cp fix_npt_cuda.cpp .. cp fix_nve_cuda.cpp .. cp fix_nvt_cuda.cpp .. cp fix_set_force_cuda.cpp .. cp fix_shake_cuda.cpp .. cp fix_temp_berendsen_cuda.cpp .. cp fix_temp_rescale_cuda.cpp .. cp fix_temp_rescale_limit_cuda.cpp .. cp fix_viscous_cuda.cpp .. cp modify_cuda.cpp .. cp neighbor_cuda.cpp .. cp neigh_full_cuda.cpp .. cp pair_buck_coul_cut_cuda.cpp .. cp pair_buck_cuda.cpp .. cp pair_lj96_cut_cuda.cpp .. cp pair_lj_cut_coul_cut_cuda.cpp .. cp pair_lj_cut_coul_debye_cuda.cpp .. cp pair_lj_cut_cuda.cpp .. cp pair_lj_cut_experimental_cuda.cpp .. cp pair_lj_expand_cuda.cpp .. cp pair_lj_gromacs_coul_gromacs_cuda.cpp .. cp pair_lj_gromacs_cuda.cpp .. cp pair_lj_smooth_cuda.cpp .. cp pair_morse_cuda.cpp .. cp verlet_cuda.cpp .. cp cuda.cpp .. cp cuda_neigh_list.cpp .. cp atom_vec_atomic_cuda.h .. cp atom_vec_charge_cuda.h .. cp comm_cuda.h .. cp compute_pe_cuda.h .. cp compute_pressure_cuda.h .. cp compute_temp_cuda.h .. cp compute_temp_partial_cuda.h .. cp domain_cuda.h .. cp fix_addforce_cuda.h .. cp fix_aveforce_cuda.h .. cp fix_enforce2d_cuda.h .. cp fix_gravity_cuda.h .. cp fix_nh_cuda.h .. cp fix_npt_cuda.h .. cp fix_nve_cuda.h .. cp fix_nvt_cuda.h .. cp fix_set_force_cuda.h .. cp fix_shake_cuda.h .. cp fix_temp_berendsen_cuda.h .. cp fix_temp_rescale_cuda.h .. cp fix_temp_rescale_limit_cuda.h .. cp fix_viscous_cuda.h .. cp modify_cuda.h .. cp neighbor_cuda.h .. cp pair_buck_coul_cut_cuda.h .. cp pair_buck_cuda.h .. cp pair_lj96_cut_cuda.h .. cp pair_lj_cut_coul_cut_cuda.h .. cp pair_lj_cut_coul_debye_cuda.h .. cp pair_lj_cut_cuda.h .. cp pair_lj_cut_experimental_cuda.h .. cp pair_lj_expand_cuda.h .. cp pair_lj_gromacs_coul_gromacs_cuda.h .. cp pair_lj_gromacs_cuda.h .. cp pair_lj_smooth_cuda.h .. cp pair_morse_cuda.h .. cp verlet_cuda.h .. cp cuda.h .. cp cuda_data.h .. cp cuda_modify_flags.h .. cp cuda_neigh_list.h .. elif (test $1 = 0) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*cuda[^ \t]* //g' ../Makefile.package sed -i -e 's/[^ \t]*CUDA[^ \t]* //g' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*cuda.*$/d' ../Makefile.package.settings fi # force rebuild of files with LMP_USER_CUDA switch touch ../accelerator_cuda.h rm -f ../atom_vec_angle_cuda.cpp rm -f ../atom_vec_atomic_cuda.cpp rm -f ../atom_vec_charge_cuda.cpp rm -f ../atom_vec_full_cuda.cpp rm -f ../comm_cuda.cpp rm -f ../compute_pe_cuda.cpp rm -f ../compute_pressure_cuda.cpp rm -f ../compute_temp_cuda.cpp rm -f ../compute_temp_partial_cuda.cpp rm -f ../domain_cuda.cpp rm -f ../fft3d_cuda.cpp rm -f ../fft3d_wrap_cuda.cpp rm -f ../fix_addforce_cuda.cpp rm -f ../fix_aveforce_cuda.cpp rm -f ../fix_enforce2d_cuda.cpp rm -f ../fix_freeze_cuda.cpp rm -f ../fix_gravity_cuda.cpp rm -f ../fix_nh_cuda.cpp rm -f ../fix_npt_cuda.cpp rm -f ../fix_nve_cuda.cpp rm -f ../fix_nvt_cuda.cpp rm -f ../fix_set_force_cuda.cpp rm -f ../fix_shake_cuda.cpp rm -f ../fix_temp_berendsen_cuda.cpp rm -f ../fix_temp_rescale_cuda.cpp rm -f ../fix_temp_rescale_limit_cuda.cpp rm -f ../fix_viscous_cuda.cpp rm -f ../modify_cuda.cpp rm -f ../neighbor_cuda.cpp rm -f ../neigh_full_cuda.cpp rm -f ../pair_born_coul_long_cuda.cpp rm -f ../pair_buck_coul_cut_cuda.cpp rm -f ../pair_buck_coul_long_cuda.cpp rm -f ../pair_buck_cuda.cpp rm -f ../pair_lj_sdk_coul_cut_cuda.cpp rm -f ../pair_lj_sdk_coul_debye_cuda.cpp rm -f ../pair_lj_sdk_coul_long_cuda.cpp rm -f ../pair_lj_sdk_cuda.cpp rm -f ../pair_eam_alloy_cuda.cpp rm -f ../pair_eam_cuda.cpp rm -f ../pair_eam_fs_cuda.cpp rm -f ../pair_gran_hooke_cuda.cpp rm -f ../pair_lj96_cut_cuda.cpp rm -f ../pair_lj_charmm_coul_charmm_cuda.cpp rm -f ../pair_lj_charmm_coul_charmm_implicit_cuda.cpp rm -f ../pair_lj_charmm_coul_long_cuda.cpp rm -f ../pair_lj_class2_coul_cut_cuda.cpp rm -f ../pair_lj_class2_coul_long_cuda.cpp rm -f ../pair_lj_class2_cuda.cpp rm -f ../pair_lj_cut_coul_cut_cuda.cpp rm -f ../pair_lj_cut_coul_debye_cuda.cpp rm -f ../pair_lj_cut_coul_long_cuda.cpp rm -f ../pair_lj_cut_cuda.cpp rm -f ../pair_lj_cut_experimental_cuda.cpp rm -f ../pair_lj_expand_cuda.cpp rm -f ../pair_lj_gromacs_coul_gromacs_cuda.cpp rm -f ../pair_lj_gromacs_cuda.cpp rm -f ../pair_lj_smooth_cuda.cpp rm -f ../pair_morse_cuda.cpp rm -f ../pppm_cuda.cpp rm -f ../verlet_cuda.cpp rm -f ../cuda.cpp rm -f ../cuda_neigh_list.cpp rm -f ../atom_vec_angle_cuda.h rm -f ../atom_vec_atomic_cuda.h rm -f ../atom_vec_charge_cuda.h rm -f ../atom_vec_full_cuda.h rm -f ../comm_cuda.h rm -f ../compute_pe_cuda.h rm -f ../compute_pressure_cuda.h rm -f ../compute_temp_cuda.h rm -f ../compute_temp_partial_cuda.h rm -f ../domain_cuda.h rm -f ../fft3d_cuda.h rm -f ../fft3d_wrap_cuda.h rm -f ../fix_addforce_cuda.h rm -f ../fix_aveforce_cuda.h rm -f ../fix_enforce2d_cuda.h rm -f ../fix_freeze_cuda.h rm -f ../fix_gravity_cuda.h rm -f ../fix_nh_cuda.h rm -f ../fix_npt_cuda.h rm -f ../fix_nve_cuda.h rm -f ../fix_nvt_cuda.h rm -f ../fix_set_force_cuda.h rm -f ../fix_shake_cuda.h rm -f ../fix_temp_berendsen_cuda.h rm -f ../fix_temp_rescale_cuda.h rm -f ../fix_temp_rescale_limit_cuda.h rm -f ../fix_viscous_cuda.h rm -f ../modify_cuda.h rm -f ../neighbor_cuda.h rm -f ../pair_born_coul_long_cuda.h rm -f ../pair_buck_coul_cut_cuda.h rm -f ../pair_buck_coul_long_cuda.h rm -f ../pair_buck_cuda.h rm -f ../pair_lj_sdk_coul_cut_cuda.h rm -f ../pair_lj_sdk_coul_debye_cuda.h rm -f ../pair_lj_sdk_coul_long_cuda.h rm -f ../pair_lj_sdk_cuda.h rm -f ../pair_eam_alloy_cuda.h rm -f ../pair_eam_cuda.h rm -f ../pair_eam_fs_cuda.h rm -f ../pair_gran_hooke_cuda.h rm -f ../pair_lj96_cut_cuda.h rm -f ../pair_lj_charmm_coul_charmm_cuda.h rm -f ../pair_lj_charmm_coul_charmm_implicit_cuda.h rm -f ../pair_lj_charmm_coul_long_cuda.h rm -f ../pair_lj_class2_coul_cut_cuda.h rm -f ../pair_lj_class2_coul_long_cuda.h rm -f ../pair_lj_class2_cuda.h rm -f ../pair_lj_cut_coul_cut_cuda.h rm -f ../pair_lj_cut_coul_debye_cuda.h rm -f ../pair_lj_cut_coul_long_cuda.h rm -f ../pair_lj_cut_cuda.h rm -f ../pair_lj_cut_experimental_cuda.h rm -f ../pair_lj_expand_cuda.h rm -f ../pair_lj_gromacs_coul_gromacs_cuda.h rm -f ../pair_lj_gromacs_cuda.h rm -f ../pair_lj_smooth_cuda.h rm -f ../pair_morse_cuda.h rm -f ../pppm_cuda.h rm -f ../verlet_cuda.h rm -f ../pair_sw_cuda.h rm -f ../pair_sw_cuda.cpp rm -f ../pair_tersoff_cuda.h rm -f ../pair_tersoff_cuda.cpp rm -f ../pair_tersoff_zbl_cuda.h rm -f ../pair_tersoff_zbl_cuda.cpp rm -f ../cuda.h rm -f ../cuda_data.h rm -f ../cuda_modify_flags.h rm -f ../cuda_neigh_list.h fi diff --git a/src/USER-MOLFILE/Install.sh b/src/USER-MOLFILE/Install.sh index 7bcb61041..12280e0fd 100644 --- a/src/USER-MOLFILE/Install.sh +++ b/src/USER-MOLFILE/Install.sh @@ -1,51 +1,51 @@ # Install/unInstall package files in LAMMPS if (test $1 = 1) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*molfile[^ \t]* //' ../Makefile.package sed -i -e 's|^PKG_SYSINC =[ \t]*|&$(molfile_SYSINC) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(molfile_SYSLIB) |' ../Makefile.package sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(molfile_SYSPATH) |' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*USER-MOLFILE.*$/d' ../Makefile.package.settings # multiline form needed for BSD sed on Macs - sed -i '4 i \ -include ..\/USER-MOLFILE\/Makefile.lammps\ + sed -i -e '4 i \ +include ..\/USER-MOLFILE\/Makefile.lammps ' ../Makefile.package.settings fi cp molfile_interface.cpp .. cp dump_molfile.cpp .. cp reader_molfile.cpp .. cp molfile_interface.h .. cp dump_molfile.h .. cp reader_molfile.h .. cp molfile_plugin.h .. cp vmdplugin.h .. elif (test $1 = 0) then if (test -e ../Makefile.package) then sed -i -e 's/[^ \t]*molfile[^ \t]* //' ../Makefile.package fi if (test -e ../Makefile.package.settings) then sed -i -e '/^include.*USER-MOLFILE.*$/d' ../Makefile.package.settings fi rm -f ../molfile_interface.cpp rm -f ../dump_molfile.cpp rm -f ../reader_molfile.cpp rm -f ../molfile_interface.h rm -f ../dump_molfile.h rm -f ../reader_molfile.h rm -f ../molfile_plugin.h rm -f ../vmdplugin.h fi