Actually, I don't know what changed but I tried it again and the output is:
+ [[ --debug = \-\-\h\e\l\p ]]
+ source /usr/local/votca/share/votca/scripts/inverse/start_framework.sh
++ '[' --debug = --help ']'
++ [[ -n /usr/local/votca/share/votca ]]
++ [[ -d /usr/local/votca/share/votca ]]
++ [[ -d /usr/local/votca/share/votca/scripts/inverse ]]
++ [[ -f /usr/local/votca/share/votca/scripts/inverse/inverse.sh ]]
++ [[ -f /usr/local/votca/share/votca/scripts/inverse/functions_common.sh ]]
++ source /usr/local/votca/share/votca/scripts/inverse/functions_common.sh
+++ [[ --debug = \-\-\h\e\l\p ]]
+++ export BASH
+++ shopt -s extglob
+++ export -f msg
+++ export -f show_callstack
+++ unset -f die
+++ export -f die
+++ export -f cat_external
+++ export -f do_external
+++ export -f critical
+++ export -f for_all
+++ export -f csg_get_interaction_property
+++ export -f csg_get_property
+++ export -f trim_all
+++ export -f mark_done
+++ export -f is_done
+++ export -f is_int
+++ export -f to_int
+++ export -f is_part
+++ export -f has_duplicate
+++ export -f remove_duplicate
+++ export -f is_num
+++ export -f get_stepname
+++ export -f update_stepnames
+++ export -f get_current_step_dir
+++ export -f get_last_step_dir
+++ export -f get_main_dir
+++ export -f get_current_step_nr
+++ export -f get_step_nr
+++ export -f cp_from_main_dir
+++ export -f cp_from_last_step
+++ export -f get_time
+++ export -f get_number_tasks
+++ export -f get_table_comment
+++ export -f csg_inverse_clean
+++ export -f check_path_variable
+++ export -f add_to_csgshare
+++ export -f globalize_dir
+++ export -f globalize_file
+++ export -f source_function
+++ export -f csg_banner
+++ export -f csg_calc
+++ export -f show_csg_tables
+++ export -f get_command_from_csg_tables
+++ export -f source_wrapper
+++ export -f find_in_csgshare
++++ type -p mktemp
+++ '[' -z /usr/bin/mktemp ']'
+++ export -f enable_logging
+++ export -f get_restart_file
+++ export -f check_for_obsolete_xml_options
+++ export -f command_not_found_handle
+++ for i in simulation_finish checkpoint_exist get_simulation_setting
+++ eval 'simulation_finish()' '{' command_not_found_handle
'simulation_finish;' '}'
+++ eval export -f simulation_finish
++++ export -f simulation_finish
+++ for i in simulation_finish checkpoint_exist get_simulation_setting
+++ eval 'checkpoint_exist()' '{' command_not_found_handle
'checkpoint_exist;' '}'
+++ eval export -f checkpoint_exist
++++ export -f checkpoint_exist
+++ for i in simulation_finish checkpoint_exist get_simulation_setting
+++ eval 'get_simulation_setting()' '{' command_not_found_handle
'get_simulation_setting;' '}'
+++ eval export -f get_simulation_setting
++++ export -f get_simulation_setting
+++ unset i
++ export CSG_MASTER_PID=11337
++ CSG_MASTER_PID=11337
++ export
CSG_MAINDIR=/Users/ramongonzalezperez/Desktop/csg-tutorials/hexane/ibi_all
++
CSG_MAINDIR=/Users/ramongonzalezperez/Desktop/csg-tutorials/hexane/ibi_all
++ [[ -n '' ]]
++ export
VOTCA_CSG_DEFAULTS=/usr/local/votca/share/votca/xml/csg_defaults.xml
++ VOTCA_CSG_DEFAULTS=/usr/local/votca/share/votca/xml/csg_defaults.xml
++ [[ -f /usr/local/votca/share/votca/xml/csg_defaults.xml ]]
++ add_to_csgshare --at-the-end /usr/local/votca/share/votca/scripts/inverse
++ local dir end=no
++ [[ --at-the-end = \-\-\a\t\-\t\h\e\-\e\n\d ]]
++ end=yes
++ shift
++ [[ -z /usr/local/votca/share/votca/scripts/inverse ]]
++ for dirlist in '"$@"'
++ old_IFS='
'
++ IFS=:
++ for dir in '$dirlist'
++ eval dir=/usr/local/votca/share/votca/scripts/inverse
+++ dir=/usr/local/votca/share/votca/scripts/inverse
++ [[ -d /usr/local/votca/share/votca/scripts/inverse ]]
+++ globalize_dir /usr/local/votca/share/votca/scripts/inverse
+++ [[ -z /usr/local/votca/share/votca/scripts/inverse ]]
+++ [[ -d /usr/local/votca/share/votca/scripts/inverse ]]
+++ cd /usr/local/votca/share/votca/scripts/inverse
+++ pwd
++ dir=/usr/local/votca/share/votca/scripts/inverse
++ [[ yes = \y\e\s ]]
++ export CSGSHARE=/usr/local/votca/share/votca/scripts/inverse
++ CSGSHARE=/usr/local/votca/share/votca/scripts/inverse
++ export PERL5LIB=/usr/local/votca/share/votca/scripts/inverse
++ PERL5LIB=/usr/local/votca/share/votca/scripts/inverse
++ IFS='
'
++ check_path_variable CSGSHARE PERL5LIB
++ local old_IFS dir
++ [[ -z CSGSHARE ]]
++ for var in '"$@"'
++ [[ -z CSGSHARE ]]
++ old_IFS='
'
++ IFS=:
++ for dir in '${!var}'
++ [[ -z /usr/local/votca/share/votca/scripts/inverse ]]
++ [[ /usr/local/votca/share/votca/scripts/inverse = *votca* ]]
++ [[ -d /usr/local/votca/share/votca/scripts/inverse ]]
++ IFS='
'
++ for var in '"$@"'
++ [[ -z PERL5LIB ]]
++ old_IFS='
'
++ IFS=:
++ for dir in '${!var}'
++ [[ -z /usr/local/votca/share/votca/scripts/inverse ]]
++ [[ /usr/local/votca/share/votca/scripts/inverse = *votca* ]]
++ [[ -d /usr/local/votca/share/votca/scripts/inverse ]]
++ IFS='
'
+ do_iterations=
+ waittime=10
+ unset CSGXMLFILE CSGENDING CSGDEBUG
+ shopt -s extglob
+ [[ -debug != --debug ]]
+ [[ debug = --debug ]]
+ case $1 in
+ export CSGDEBUG=yes
+ CSGDEBUG=yes
+ shift
+ [[ -options != --options ]]
+ [[ options = --options ]]
+ case $1 in
+ CSGXMLFILE=settings.xml
+ [[ -f settings.xml ]]
++ globalize_file settings.xml
++ [[ -z settings.xml ]]
++ [[ -f settings.xml ]]
++ local dir
++ [[ settings.xml = settings.xml ]]
++ dir=.
+++ globalize_dir .
+++ [[ -z . ]]
+++ [[ -d . ]]
+++ cd .
+++ pwd
++ echo
/Users/ramongonzalezperez/Desktop/csg-tutorials/hexane/ibi_all/settings.xml
+ export
CSGXMLFILE=/Users/ramongonzalezperez/Desktop/csg-tutorials/hexane/ibi_all/settings.xml
+
CSGXMLFILE=/Users/ramongonzalezperez/Desktop/csg-tutorials/hexane/ibi_all/settings.xml
+ shift 2
+ [[ '' != '' ]]
+ [[ -z
/Users/ramongonzalezperez/Desktop/csg-tutorials/hexane/ibi_all/settings.xml
]]
+ [[ '' = \c\l\e\a\n ]]
+ enable_logging
+ local log
+ [[ -z '' ]]
++ csg_get_property cg.inverse.log_file
Terminated: 15
On Friday, April 3, 2020 at 8:30:16 PM UTC-6, Ramon Gonzalez Perez wrote:
>
> Yes, here's what I get if I do «ls -l»:
>
> -rw-r--r-- 1 ramongonzalezperez staff 4536 Apr 3 12:11 settings.xml
>
> Ramón
>
> On Friday, April 3, 2020 at 8:21:49 PM UTC-6, Christoph Junghans wrote:
>>
>> On Fri, Apr 3, 2020 at 7:44 PM Ramon Gonzalez Perez
>> <[email protected]> wrote:
>> >
>> > Yes, I meant csg_inverse. Here's the output:
>> >
>> > + [[ --debug = \-\-\h\e\l\p ]]
>> > + source
>> /usr/local/votca/share/votca/scripts/inverse/start_framework.sh
>> > ++ '[' --debug = --help ']'
>> > ++ [[ -n /usr/local/votca/share/votca ]]
>> > ++ [[ -d /usr/local/votca/share/votca ]]
>> > ++ [[ -d /usr/local/votca/share/votca/scripts/inverse ]]
>> > ++ [[ -f /usr/local/votca/share/votca/scripts/inverse/inverse.sh ]]
>> > ++ [[ -f
>> /usr/local/votca/share/votca/scripts/inverse/functions_common.sh ]]
>> > ++ source
>> /usr/local/votca/share/votca/scripts/inverse/functions_common.sh
>> > +++ [[ --debug = \-\-\h\e\l\p ]]
>> > +++ export BASH
>> > +++ shopt -s extglob
>> > +++ export -f msg
>> > +++ export -f show_callstack
>> > +++ unset -f die
>> > +++ export -f die
>> > +++ export -f cat_external
>> > +++ export -f do_external
>> > +++ export -f critical
>> > +++ export -f for_all
>> > +++ export -f csg_get_interaction_property
>> > +++ export -f csg_get_property
>> > +++ export -f trim_all
>> > +++ export -f mark_done
>> > +++ export -f is_done
>> > +++ export -f is_int
>> > +++ export -f to_int
>> > +++ export -f is_part
>> > +++ export -f has_duplicate
>> > +++ export -f remove_duplicate
>> > +++ export -f is_num
>> > +++ export -f get_stepname
>> > +++ export -f update_stepnames
>> > +++ export -f get_current_step_dir
>> > +++ export -f get_last_step_dir
>> > +++ export -f get_main_dir
>> > +++ export -f get_current_step_nr
>> > +++ export -f get_step_nr
>> > +++ export -f cp_from_main_dir
>> > +++ export -f cp_from_last_step
>> > +++ export -f get_time
>> > +++ export -f get_number_tasks
>> > +++ export -f get_table_comment
>> > +++ export -f csg_inverse_clean
>> > +++ export -f check_path_variable
>> > +++ export -f add_to_csgshare
>> > +++ export -f globalize_dir
>> > +++ export -f globalize_file
>> > +++ export -f source_function
>> > +++ export -f csg_banner
>> > +++ export -f csg_calc
>> > +++ export -f show_csg_tables
>> > +++ export -f get_command_from_csg_tables
>> > +++ export -f source_wrapper
>> > +++ export -f find_in_csgshare
>> > ++++ type -p mktemp
>> > +++ '[' -z /usr/bin/mktemp ']'
>> > +++ export -f enable_logging
>> > +++ export -f get_restart_file
>> > +++ export -f check_for_obsolete_xml_options
>> > +++ export -f command_not_found_handle
>> > +++ for i in simulation_finish checkpoint_exist get_simulation_setting
>> > +++ eval 'simulation_finish()' '{' command_not_found_handle
>> 'simulation_finish;' '}'
>> > +++ eval export -f simulation_finish
>> > ++++ export -f simulation_finish
>> > +++ for i in simulation_finish checkpoint_exist get_simulation_setting
>> > +++ eval 'checkpoint_exist()' '{' command_not_found_handle
>> 'checkpoint_exist;' '}'
>> > +++ eval export -f checkpoint_exist
>> > ++++ export -f checkpoint_exist
>> > +++ for i in simulation_finish checkpoint_exist get_simulation_setting
>> > +++ eval 'get_simulation_setting()' '{' command_not_found_handle
>> 'get_simulation_setting;' '}'
>> > +++ eval export -f get_simulation_setting
>> > ++++ export -f get_simulation_setting
>> > +++ unset i
>> > ++ export CSG_MASTER_PID=65637
>> > ++ CSG_MASTER_PID=65637
>> > ++ export
>> CSG_MAINDIR=/Users/ramongonzalezperez/Desktop/csg-tutorials/hexane/ibi_all
>> > ++
>> CSG_MAINDIR=/Users/ramongonzalezperez/Desktop/csg-tutorials/hexane/ibi_all
>> > ++ [[ -n '' ]]
>> > ++ export
>> VOTCA_CSG_DEFAULTS=/usr/local/votca/share/votca/xml/csg_defaults.xml
>> > ++ VOTCA_CSG_DEFAULTS=/usr/local/votca/share/votca/xml/csg_defaults.xml
>> > ++ [[ -f /usr/local/votca/share/votca/xml/csg_defaults.xml ]]
>> > ++ add_to_csgshare --at-the-end
>> /usr/local/votca/share/votca/scripts/inverse
>> > ++ local dir end=no
>> > ++ [[ --at-the-end = \-\-\a\t\-\t\h\e\-\e\n\d ]]
>> > ++ end=yes
>> > ++ shift
>> > ++ [[ -z /usr/local/votca/share/votca/scripts/inverse ]]
>> > ++ for dirlist in '"$@"'
>> > ++ old_IFS='
>> > '
>> > ++ IFS=:
>> > ++ for dir in '$dirlist'
>> > ++ eval dir=/usr/local/votca/share/votca/scripts/inverse
>> > +++ dir=/usr/local/votca/share/votca/scripts/inverse
>> > ++ [[ -d /usr/local/votca/share/votca/scripts/inverse ]]
>> > +++ globalize_dir /usr/local/votca/share/votca/scripts/inverse
>> > +++ [[ -z /usr/local/votca/share/votca/scripts/inverse ]]
>> > +++ [[ -d /usr/local/votca/share/votca/scripts/inverse ]]
>> > +++ cd /usr/local/votca/share/votca/scripts/inverse
>> > +++ pwd
>> > ++ dir=/usr/local/votca/share/votca/scripts/inverse
>> > ++ [[ yes = \y\e\s ]]
>> > ++ export CSGSHARE=/usr/local/votca/share/votca/scripts/inverse
>> > ++ CSGSHARE=/usr/local/votca/share/votca/scripts/inverse
>> > ++ export PERL5LIB=/usr/local/votca/share/votca/scripts/inverse
>> > ++ PERL5LIB=/usr/local/votca/share/votca/scripts/inverse
>> > ++ IFS='
>> > '
>> > ++ check_path_variable CSGSHARE PERL5LIB
>> > ++ local old_IFS dir
>> > ++ [[ -z CSGSHARE ]]
>> > ++ for var in '"$@"'
>> > ++ [[ -z CSGSHARE ]]
>> > ++ old_IFS='
>> > '
>> > ++ IFS=:
>> > ++ for dir in '${!var}'
>> > ++ [[ -z /usr/local/votca/share/votca/scripts/inverse ]]
>> > ++ [[ /usr/local/votca/share/votca/scripts/inverse = *votca* ]]
>> > ++ [[ -d /usr/local/votca/share/votca/scripts/inverse ]]
>> > ++ IFS='
>> > '
>> > ++ for var in '"$@"'
>> > ++ [[ -z PERL5LIB ]]
>> > ++ old_IFS='
>> > '
>> > ++ IFS=:
>> > ++ for dir in '${!var}'
>> > ++ [[ -z /usr/local/votca/share/votca/scripts/inverse ]]
>> > ++ [[ /usr/local/votca/share/votca/scripts/inverse = *votca* ]]
>> > ++ [[ -d /usr/local/votca/share/votca/scripts/inverse ]]
>> > ++ IFS='
>> > '
>> > + do_iterations=
>> > + waittime=10
>> > + unset CSGXMLFILE CSGENDING CSGDEBUG
>> > + shopt -s extglob
>> > + [[ -debug != --debug ]]
>> > + [[ debug = --debug ]]
>> > + case $1 in
>> > + export CSGDEBUG=yes
>> > + CSGDEBUG=yes
>> > + shift
>> > + [[ -options != --options ]]
>> > + [[ options = --options ]]
>> > + case $1 in
>> > + CSGXMLFILE=
>> > + [[ -f '' ]]
>> > + die 'options xml file '\'''\'' not found'
>> > + local pid pids c place
>> > + echo -e '\nCallstack:'
>> >
>> > Callstack:
>> > + show_callstack
>> > + local space line
>> > + [[ -n '' ]]
>> > + space=
>> > + [[ /usr/local/votca/share/votca/scripts/inverse/inverse.sh =
>> *\b\a\s\h ]]
>> > + echo '/usr/local/votca/share/votca/scripts/inverse/inverse.sh -
>> linenumber 82'
>> > /usr/local/votca/share/votca/scripts/inverse/inverse.sh - linenumber 82
>> > + (( c=3-1 ))
>> > + (( c>0 ))
>> > + [[ main = main ]]
>> > + continue
>> > + (( c-- ))
>> > + (( c>0 ))
>> > + [[ die = main ]]
>> > + space+=' '
>> > + [[ /usr/local/votca/share/votca/scripts/inverse/inverse.sh =
>> *csg_call ]]
>> > + [[ /usr/local/votca/share/votca/scripts/inverse/inverse.sh =
>> *inverse.sh ]]
>> > + echo ' die - linenumber 109 in
>> /usr/local/votca/share/votca/scripts/inverse/functions_common.sh'
>> > die - linenumber 109 in
>> /usr/local/votca/share/votca/scripts/inverse/functions_common.sh
>> > + (( c-- ))
>> > + (( c>0 ))
>> > + [[ '' = \-\-\e\x\t\r\a ]]
>> > + return 0
>> > + [[ -z '' ]]
>> > + place='Details can be found above'
>> > ++ csg_banner ERROR: 'options xml file '\'''\'' not found' 'Details can
>> be found above'
>> > ++ list=()
>> > ++ local i l=0 list
>> > ++ [[ -z ERROR: ]]
>> > ++ for i in '"$@"'
>> > ++ [[ -n ERROR: ]]
>> > ++ [[ -z ERROR: ]]
>> > ++ list[$l]=ERROR:
>> > ++ (( l++ ))
>> > ++ for i in '"$@"'
>> > ++ [[ -n options xml file '' not found ]]
>> > ++ [[ -z options xml file '' not found ]]
>> > ++ list[$l]='options xml file '\'''\'' not found'
>> > ++ (( l++ ))
>> > ++ for i in '"$@"'
>> > ++ [[ -n Details can be found above ]]
>> > ++ [[ -z Details can be found above ]]
>> > ++ list[$l]='Details can be found above'
>> > ++ (( l++ ))
>> > ++ l=1
>> > ++ for i in '"${list[@]}"'
>> > ++ [[ 1 -lt 6 ]]
>> > ++ l=ERROR:
>> > ++ for i in '"${list[@]}"'
>> > ++ [[ 6 -lt 29 ]]
>> > ++ l='options xml file '\'''\'' not found'
>> > ++ for i in '"${list[@]}"'
>> > ++ [[ 29 -lt 26 ]]
>> > ++ echo '#################################'
>> > ++ echo '# #'
>> > ++ for i in '"${list[@]}"'
>> > ++ printf '# %-29s #\n' ERROR:
>> > ++ for i in '"${list[@]}"'
>> > ++ printf '# %-29s #\n' 'options xml file '\'''\'' not found'
>> > ++ for i in '"${list[@]}"'
>> > ++ printf '# %-29s #\n' 'Details can be found above'
>> > ++ echo '# #'
>> > ++ echo '#################################'
>> > + msg --color red --to-stderr '#################################
>> > # #
>> > # ERROR: #
>> > # options xml file '\'''\'' not found #
>> > # Details can be found above #
>> > # #
>> > #################################'
>> > + local color 'colors=blue cyan cyann green red purp'
>> > + [[ -z '' ]]
>> > + local 'blue='
>> > + local 'cyan='
>> > + local 'cyann='
>> > + local 'green='
>> > + local 'red='
>> > + local 'purp='
>> > + local 'off='
>> > + [[ --color = \-\-\c\o\l\o\r ]]
>> > + [[ -z red ]]
>> > + is_part red 'blue cyan cyann green red purp'
>> > + [[ -z red ]]
>> > + [[ -z blue cyan cyann green red purp ]]
>> > + [[ blue cyan cyann green red purp = *\ \r\e\d\ * ]]
>> > + color=''
>> > + shift 2
>> > + [[ --to-stderr = \-\-\t\o\-\s\t\d\e\r\r ]]
>> > + shift
>> > + [[ -z ################################# # # # ERROR: # # options xml
>> file '' not found # # Details can be found above # # #
>> ################################# ]]
>> > + [[ -n '' ]]
>> > + echo -e '#################################
>> > # #
>> > # ERROR: #
>> > # options xml file '\'''\'' not found #
>> > # Details can be found above #
>> > # #
>> > #################################'
>> > #################################
>> > # #
>> > # ERROR: #
>> > # options xml file '' not found #
>> > # Details can be found above #
>> > # #
>> > #################################
>> > + [[ -n 65637 ]]
>> > + pid=65637
>> > + pids=65637
>> > + c=0
>> > + [[ 65637 -eq 65637 ]]
>> > + [[ -n '' ]]
>> > + kill 65637
>> > Terminated: 15
>> The error is "options xml file '' not found", between '' should be the
>> filename. I am really not sure why that is.
>> Is the settings.xml file there and readable?
>>
>> Christoph
>>
>> >
>> > On Friday, April 3, 2020 at 7:40:54 PM UTC-6, Christoph Junghans wrote:
>> >>
>> >> On Fri, Apr 3, 2020 at 6:49 PM Ramon Gonzalez Perez
>> >> <[email protected]> wrote:
>> >> >
>> >> > Hello,
>> >> >
>> >> > I'm using GROMACS 2019.
>> >> >
>> >> > I did "export
>> DYLD_LIBRARY_PATH=/usr/local/votca/lib:/usr/local/gromacs/lib" and csg_stat
>> and csg_map seem to work but when I run "csg_settings --options
>> settings.xml" on the hexane/ibi_all tutorial I get:
>> >> Do you mean csg_inverse? Try "csg_inverse --debug --options
>> >> settings.xml" and post the end of the output here.
>> >>
>> >> Christoph
>> >> >
>> >> > Terminated: 15
>> >> >
>> >> > Thanks,
>> >> >
>> >> > Ramón
>> >> >
>> >> > On Friday, April 3, 2020 at 11:36:55 AM UTC-6, Christoph Junghans
>> wrote:
>> >> >>
>> >> >> On Fri, Apr 3, 2020 at 11:29 AM Ramon Gonzalez Perez
>> >> >> <[email protected]> wrote:
>> >> >> >
>> >> >> > Hello,
>> >> >> >
>> >> >> > I added -DENABLE_RPATH_INJECT=ON and moved from zsh to bash but
>> got a new error when running make:
>> >> >> >
>> >> >> > error:
>> >> >> > no member named 'nmolblock' in 'gmx_mtop_t'
>> >> >> > for(int iblock=0; iblock<mtop.nmolblock; ++iblock)
>> >> >> > ~~~~ ^
>> >> >> Yea, VOTCA-1.4* doesn't support newer versions of gromacs. What
>> >> >> version of gromacs are you using?
>> >> >>
>> >> >> >
>> >> >> > I tried the stable version and the installation seemed to work
>> but when running csg_stat it says:
>> >> >> >
>> >> >> > dyld: Library not loaded: @loader_path/../lib/libgromacs.4.dylib
>> >> >> > Referenced from: /usr/local/votca/lib/libvotca_csg.6.dylib
>> >> >> > Reason: image not found
>> >> >> > Abort trap: 6
>> >> >> Did you source VOTCARC.bash and GMXRC.bash?
>> >> >>
>> >> >> Alternatively, do "export
>> >> >> DYLD_LIBRARY_PATH=/usr/local/votca/lib:/usr/local/gromacs/lib"
>> >> >>
>> >> >> Christoph
>> >> >>
>> >> >>
>> >> >> >
>> >> >> > This is the procedure I'm following:
>> >> >> >
>> >> >> > sudo rm -rf /usr/local/votca
>> >> >> > sudo rm -rf votca
>> >> >> > prefix=/usr/local/votca
>> >> >> > version=stable
>> >> >> > git clone -b ${version} --recursive
>> https://github.com/votca/votca.git
>> >> >> > cd votca
>> >> >> > mkdir build
>> >> >> > cd build
>> >> >> > cmake -DBUILD_CSGAPPS=ON -DCMAKE_INSTALL_PREFIX=${prefix}
>> -DWITH_SQLITE3=OFF -DWITH_GMX=ON
>> -DGROMACS_INCLUDE_DIR=/usr/local/gromacs/include
>> -DGROMACS_LIBRARY=/usr/local/gromacs/lib/libgromacs.4.dylib
>> -DENABLE_RPATH_INJECT=ON
>> -DYLD_LIBRARY_PATH=/usr/local/votca/lib/libvotca_csg.6.dylib ..
>> >> >> > make -j5
>> >> >> > sudo make install
>> >> >> > source /usr/local/votca/bin/VOTCARC.bash
>> >> >> >
>> >> >> > And this is the content of the directories where the libraries
>> are located:
>> >> >> >
>> >> >> > ls /usr/local/gromacs/lib/
>> >> >> > libgromacs.4.0.0.dylib libgromacs.4.dylib libgromacs.dylib
>> pkgconfig
>> >> >> >
>> >> >> > ls /usr/local/votca/lib/
>> >> >> > cmake libvotca_csg.6.dylib libvotca_csg.dylib
>> libvotca_tools.6.dylib libvotca_tools.dylib
>> >> >> >
>> >> >> > Am I missing something?
>> >> >> >
>> >> >> > Ramón
>> >> >> >
>> >> >> > On Wednesday, April 1, 2020 at 8:41:08 PM UTC-6, Christoph
>> Junghans wrote:
>> >> >> >>
>> >> >> >> On Wed, Apr 1, 2020 at 2:52 PM Christoph Junghans <
>> [email protected]> wrote:
>> >> >> >> >
>> >> >> >> > On Wed, Apr 1, 2020 at 2:36 PM Ramon Gonzalez Perez
>> >> >> >> > <[email protected]> wrote:
>> >> >> >> > >
>> >> >> >> > > I'm also getting that file. Did the installation work, then?
>> >> >> >> > >
>> >> >> >> > > Because when I try to use csg_stat I get the following
>> message:
>> >> >> >> > >
>> >> >> >> > > dyld: Library not loaded: @rpath/libmkl_core.dylib
>> >> >> >> > > Referenced from: /usr/local/votca/bin/csg_stat
>> >> >> >> > You could try to adding -DENABLE_RPATH_INJECT=ON on your cmake
>> comment.
>> >> >> >> > Alternatively, set the DYLD_LIBRARY_PATH variable to where
>> your libmkl
>> >> >> >> > is located.
>> >> >> >> >
>> >> >> >> > > Reason: image not found
>> >> >> >> > > zsh: abort csg_stat
>> >> >> >> > Oh, you are using zsh, so the VOTCA.bash won't work for you as
>> it is for bash.
>> >> >> >> > I guess, you could try "setopt NULL_GLOB" in zsh to make the
>> bash file work.
>> >> >> >> Also fixed in the next release:
>> https://github.com/votca/tools/pull/220
>> >> >> >>
>> >> >> >> Christoph
>> >> >> >> >
>> >> >> >> > Christoph
>> >> >> >> > >
>> >> >> >> > > On Wednesday, April 1, 2020 at 1:56:05 PM UTC-6, Christoph
>> Junghans wrote:
>> >> >> >> > >>
>> >> >> >> > >> On Wed, Apr 1, 2020 at 1:30 PM Ramon Gonzalez Perez
>> >> >> >> > >> <[email protected]> wrote:
>> >> >> >> > >> >
>> >> >> >> > >> > v1.4.1 through:
>> >> >> >> > >> >
>> >> >> >> > >> > sudo rm -rf /usr/local/votca
>> >> >> >> > >> >
>> >> >> >> > >> > prefix=/usr/local/votca
>> >> >> >> > >> >
>> >> >> >> > >> > version=v1.4.1
>> >> >> >> > >> >
>> >> >> >> > >> > git clone -b ${version} --recursive
>> https://github.com/votca/votca.git
>> >> >> >> > >> >
>> >> >> >> > >> > cd votca
>> >> >> >> > >> >
>> >> >> >> > >> > mkdir build
>> >> >> >> > >> >
>> >> >> >> > >> > cd build
>> >> >> >> > >> >
>> >> >> >> > >> > cmake -DBUILD_CSGAPPS=ON -DCMAKE_INSTALL_PREFIX=${prefix}
>> -DWITH_SQLITE3=OFF -DWITH_GMX=ON
>> -DGROMACS_INCLUDE_DIR=/usr/local/gromacs/include
>> -DGROMACS_LIBRARY=/usr/local/gromacs/lib/libgromacs.dylib ..
>> >> >> >> > >> >
>> >> >> >> > >> > sudo make -j5
>> >> >> >> > >> No sudo needed here.
>> >> >> >> > >> >
>> >> >> >> > >> > sudo make install
>> >> >> >> > >> I did exactly that on Linux and I get the following file:
>> >> >> >> > >>
>> >> >> >> > >> $ ls /usr/local/votca/share/votca/rc/
>> >> >> >> > >> csg-completion.bash
>> >> >> >> > >>
>> >> >> >> > >> Christoph
>> >> >> >> > >> >
>> >> >> >> > >> >
>> >> >> >> > >> > On Wednesday, April 1, 2020 at 1:23:14 PM UTC-6,
>> Christoph Junghans wrote:
>> >> >> >> > >> >>
>> >> >> >> > >> >> On Wed, Apr 1, 2020 at 1:14 PM Ramon Gonzalez Perez
>> >> >> >> > >> >> <[email protected]> wrote:
>> >> >> >> > >> >> >
>> >> >> >> > >> >> > Hello,
>> >> >> >> > >> >> >
>> >> >> >> > >> >> > I installed VOTCA on macOS but when I source
>> /usr/local/votca/bin/VOTCARC.bash I get this error:
>> >> >> >> > >> >> >
>> >> >> >> > >> >> > /usr/local/votca/bin/VOTCARC.bash:29: no matches
>> found: /usr/local/votca/share/votca/rc/*rc.bash
>> >> >> >> > >> >> How did you install VOTCA? What version?
>> >> >> >> > >> >>
>> >> >> >> > >> >> Christoph
>> >> >> >> > >> >> >
>> >> >> >> > >> >> > Thanks,
>> >> >> >> > >> >> >
>> >> >> >> > >> >> > Ramón
>> >> >> >> > >> >> >
>> >> >> >> > >> >> > --
>> >> >> >> > >> >> > You received this message because you are subscribed
>> to the Google Groups "votca" group.
>> >> >> >> > >> >> > To unsubscribe from this group and stop receiving
>> emails from it, send an email to [email protected].
>> >> >> >> > >> >> > To view this discussion on the web visit
>> https://groups.google.com/d/msgid/votca/c19d41b6-7295-41d3-8fac-1366431f7601%40googlegroups.com.
>>
>>
>> >> >> >> > >> >>
>> >> >> >> > >> >>
>> >> >> >> > >> >>
>> >> >> >> > >> >> --
>> >> >> >> > >> >> Christoph Junghans
>> >> >> >> > >> >> Web: http://www.compphys.de
>> >> >> >> > >> >
>> >> >> >> > >> > --
>> >> >> >> > >> > You received this message because you are subscribed to
>> the Google Groups "votca" group.
>> >> >> >> > >> > To unsubscribe from this group and stop receiving emails
>> from it, send an email to [email protected].
>> >> >> >> > >> > To view this discussion on the web visit
>> https://groups.google.com/d/msgid/votca/10085817-cd1a-45e6-8054-8e570f7ec1ea%40googlegroups.com.
>>
>>
>> >> >> >> > >>
>> >> >> >> > >>
>> >> >> >> > >>
>> >> >> >> > >> --
>> >> >> >> > >> Christoph Junghans
>> >> >> >> > >> Web: http://www.compphys.de
>> >> >> >> > >
>> >> >> >> > > --
>> >> >> >> > > You received this message because you are subscribed to the
>> Google Groups "votca" group.
>> >> >> >> > > To unsubscribe from this group and stop receiving emails
>> from it, send an email to [email protected].
>> >> >> >> > > To view this discussion on the web visit
>> https://groups.google.com/d/msgid/votca/23598d8a-56eb-4a45-a796-5e95a13c469d%40googlegroups.com.
>>
>>
>> >> >> >> >
>> >> >> >> >
>> >> >> >> >
>> >> >> >> > --
>> >> >> >> > Christoph Junghans
>> >> >> >> > Web: http://www.compphys.de
>> >> >> >>
>> >> >> >>
>> >> >> >>
>> >> >> >> --
>> >> >> >> Christoph Junghans
>> >> >> >> Web: http://www.compphys.de
>> >> >> >
>> >> >> > --
>> >> >> > You received this message because you are subscribed to the
>> Google Groups "votca" group.
>> >> >> > To unsubscribe from this group and stop receiving emails from it,
>> send an email to [email protected].
>> >> >> > To view this discussion on the web visit
>> https://groups.google.com/d/msgid/votca/9fb7768d-cc06-4e3b-bf93-5c9d227c49ff%40googlegroups.com.
>>
>>
>> >> >>
>> >> >>
>> >> >>
>> >> >> --
>> >> >> Christoph Junghans
>> >> >> Web: http://www.compphys.de
>> >> >
>> >> > --
>> >> > You received this message because you are subscribed to the Google
>> Groups "votca" group.
>> >> > To unsubscribe from this group and stop receiving emails from it,
>> send an email to [email protected].
>> >> > To view this discussion on the web visit
>> https://groups.google.com/d/msgid/votca/c80e6e02-10c2-4cb6-a871-de091895798e%40googlegroups.com.
>>
>>
>> >>
>> >>
>> >>
>> >> --
>> >> Christoph Junghans
>> >> Web: http://www.compphys.de
>> >
>> > --
>> > You received this message because you are subscribed to the Google
>> Groups "votca" group.
>> > To unsubscribe from this group and stop receiving emails from it, send
>> an email to [email protected].
>> > To view this discussion on the web visit
>> https://groups.google.com/d/msgid/votca/218b0088-3272-4c9e-ad5f-7e92942ac3e5%40googlegroups.com.
>>
>>
>>
>>
>>
>> --
>> Christoph Junghans
>> Web: http://www.compphys.de
>>
>
--
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