ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

add support to also build an extended tcl shell as opposed to dynamically loading the extension

Browse Source
This commit is contained in:
Axel Kohlmeyer
2020-10-20 18:29:16 -04:00
parent 515f1d9ead
commit 7db669df40
5 changed files with 75 additions and 11 deletions
Download Patch File Download Diff File Expand all files Collapse all files

4
tools/swig/CMakeLists.txt
View File

@ -84,5 +84,9 @@ if(BUILD_SWIG_TCL)
target_include_directories(tcllammps PRIVATE ${TCL_INCLUDE_PATH})
swig_link_libraries(tcllammps PRIVATE lammps ${TCL_LIBRARY})
configure_file(run_tcl_example.sh run_tcl_example.sh COPYONLY)
swig_add_library(libtcllammps TYPE STATIC LANGUAGE tcl SOURCES lammps.i)
add_executable(tcllmpsh tcldummy.c)
target_include_directories(tcllmpsh PRIVATE ${TCL_INCLUDE_PATH})
target_link_libraries(tcllmpsh PRIVATE libtcllammps lammps ${TCL_LIBRARY})
endif()

4
tools/swig/lammps.i
View File

@ -3,6 +3,10 @@
%include "cdata.i"
%include "cstring.i"
#ifdef SWIGTCL
%include "tclsh.i"
#endif
%pointer_functions(int, int_p);
%pointer_functions(int, int64_p);
%pointer_functions(double, double_p);

62
tools/swig/run_tcl_example.sh
View File

@ -53,3 +53,65 @@ lammps_close \$lmp
EOF
tclsh example.tcl
# now try again with static extended shell
echo '====================================================================='
if [ ! -f tcllmpsh ]
then \
echo "Need to compile 'tcllmpsh' first for this script to work"
exit 1
fi
cat > example.tcllmp <<EOF
set osinfo [lammps_get_os_info 512]
puts "[lindex \$osinfo 0] [lindex \$osinfo 1]"
set lmp [lammps_open_no_mpi 0 NULL NULL ]
set ver [lammps_version \$lmp]
set npair_styles [lammps_style_count \$lmp "pair"]
puts "LAMMPS includes \$npair_styles pair styles"
for {set i 0} {\$i < 10} {incr i} {
set style [lammps_style_name \$lmp "pair" \$i 128]
if {[lindex \$style 0]} {puts "Style \$i: [lindex \$style 1]"}
}
lammps_command \$lmp "units real"
lammps_command \$lmp "lattice fcc 2.5"
lammps_command \$lmp "region box block -5 5 -5 5 -5 5"
lammps_command \$lmp "create_box 1 box"
lammps_command \$lmp "create_atoms 1 box"
set boxlo_p [new_double_1d 3]
set boxhi_p [new_double_1d 3]
set xy_p [new_double_p]
set yz_p [new_double_p]
set xz_p [new_double_p]
set pflags_p [new_int_1d 3]
set boxflag_p [new_int_p]
lammps_extract_box \$lmp \$boxlo_p \$boxhi_p \$xy_p \$yz_p \$xz_p \$pflags_p \$boxflag_p
puts [format "boxlo: %g %g %g" [double_1d_getitem \$boxlo_p 0] [double_1d_getitem \$boxlo_p 1] [double_1d_getitem \$boxlo_p 2]]
puts [format "boxhi: %g %g %g" [double_1d_getitem \$boxhi_p 0] [double_1d_getitem \$boxhi_p 1] [double_1d_getitem \$boxhi_p 2]]
puts [format "xy/yz/xz: %g %g %g" [double_p_value \$xy_p] [double_p_value \$yz_p] [double_p_value \$xz_p]]
puts [format "periodicity: %d %d %d" [int_1d_getitem \$pflags_p 0] [int_1d_getitem \$pflags_p 1] [int_1d_getitem \$pflags_p 2]]
puts [format "boxflag: %d" [int_p_value \$boxflag_p]]
delete_double_1d \$boxlo_p
delete_double_1d \$boxhi_p
delete_int_1d \$pflags_p
delete_double_p \$xy_p
delete_double_p \$yz_p
delete_double_p \$xz_p
delete_int_p \$boxflag_p
set dt [double_p_value [void_p_to_double_p [lammps_extract_global \$lmp dt]]]
puts "LAMMPS version \$ver"
puts [format "Number of created atoms: %g" [lammps_get_natoms \$lmp]]
puts "Current size of timestep: \$dt"
lammps_close \$lmp
EOF
${PWD}/tcllmpsh example.tcllmp

5
tools/swig/tcldummy.c Normal file
View File

@ -0,0 +1,5 @@
int i_am_a_dummy_function()
{
return 0;
}

11
tools/swig/tclmain.c
View File

@ -1,11 +0,0 @@
#include <tcl.h>
int AppInit(Tcl_Interp *interp) {
if (Tcl_Init(interp) == TCL_ERROR) return TCL_ERROR;
Tcl_SetVar(interp,"tcl_rcFileName","~/.wishrc",TCL_GLOBAL_ONLY);
return TCL_OK;
}
int main(int argc, char *argv[]) {
Tcl_Main(argc, argv, AppInit);
return 0;
}