You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
The conda-forge version of xtb 6.7.1 cannot run cpcm-x due to cpcm-x not being included. xtb geom.xyz --cpcmx water
########################################################################
[ERROR] Program stopped due to fatal error
-2- Command line argument parsing failed
-1- prog_main_parseArguments: The CPCM-X library was not included in this version of xTB.
########################################################################
abnormal termination of xtb
ERROR STOP
Error termination. Backtrace:
#0 0x5e7c109b8aeb in ???
#1 0x5e7c108eb023 in ???
#2 0x5e7c108d9244 in ???
#3 0x757298a2a1c9 in __libc_start_call_main
at ../sysdeps/nptl/libc_start_call_main.h:58
#4 0x757298a2a28a in __libc_start_main_impl
at ../csu/libc-start.c:360
#5 0x5e7c108d92e6 in ???
#6 0xffffffffffffffff in ???
The text was updated successfully, but these errors were encountered:
CPCM-X is not yet available on conda-forge and therefore was not included in the distribution there. If somebody can package CPCM-X for conda-forge the xtb distribution can be updated to include it.
The conda-forge version of xtb 6.7.1 cannot run cpcm-x due to cpcm-x not being included.
xtb geom.xyz --cpcmx water
The text was updated successfully, but these errors were encountered: