Hi Edoardo, On 2021-11-03 19:27, Apra, Edoardo wrote: > NWChem 7.0.0 (and later versions) no longer require csh/tcsh. > I have opened a pull request with the necessary changes on the debichem > repository at |[1].| > Cheers, Edo > || > |[1] https://salsa.debian.org/debichem-team/nwchem/-/merge_requests/1|
Thanks for the report. Have you tried building without csh/tcsh present on the system? I tried rebuilding 7.0.2-1 on amd64, but it seems to get caught in an infinite loop in clean step, constantly emitting the following: Making clean in $DIR /bin/sh: 1: [: Illegal number: . /bin/sh: 1: [: Illegal number: . /home/merkys/nwchem-7.0.2/bin/LINUX64/depend.x -I/usr/include -I/usr/lib/x86_64-linux-gnu/openmpi/lib/../../fortran/gfortran-mod-15/openmpi -I/usr/lib/x86_64-linux-gnu/openmpi/lib > dependencies /bin/sh: 1: [: Illegal number: . /bin/sh: 1: [: Illegal number: . rm -f -f *.o *.a *.mod *__genmod.f90 *core *stamp *trace mputil.mp* *events* *ipo *optrpt if [ -f /home/merkys/nwchem-7.0.2/lib/LINUX64/libband.a ] ; then \ echo cke.o| xargs -n 300 ar d /home/merkys/nwchem-7.0.2/lib/LINUX64/libband.a ; \ if [ `ar t /home/merkys/nwchem-7.0.2/lib/LINUX64/libband.a | wc | awk ' {print $1;}'` -eq 0 ] ; then \ rm -f -f /home/merkys/nwchem-7.0.2/lib/LINUX64/libband.a ; \ fi ; \ fi ; $DIR iterates through some dozens of different values and then seems to start from the beginning. Do you know what could be the problem here? I have little experience with building and using nwchem though. I plainly attempted to build it on Debian unstable without using csh/tcsh as you have suggested. Best, Andrius