[Debichem-devel] Bug#998401: Bug#998401: nwchem: remove csh requirement

[Andrius Merkys]

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