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

[Apra, Edoardo]

Hi Andrius,

I have pushed a fix to the changelog file.

I am not able to reproduce your failure.

Here is how I built the package using Docker

https://github.com/edoapra/nwchem-dockerfiles/blob/master/builddebs.buster/Dockerfile

This is the associated log file

https://github.com/edoapra/nwchem-dockerfiles/runs/4112878250?check_suite_focus=true#step:4:1

On 11/4/21 12:06 AM, Andrius Merkys wrote:

Check twice before you click! This email originated from outside PNNL.


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://gcc02.safelinks.protection.outlook.com/?url=https%3A%2F%2Fsalsa.debian.org%2Fdebichem-team%2Fnwchem%2F-%2Fmerge_requests%2F1%257C&data=04%7C01%7CEdoardo.Apra%40pnnl.gov%7C58a39b5667a5420d3a0b08d99f619b7a%7Cd6faa5f90ae240338c0130048a38deeb%7C0%7C0%7C637716064296832774%7CUnknown%7CTWFpbGZsb3d8eyJWIjoiMC4wLjAwMDAiLCJQIjoiV2luMzIiLCJBTiI6Ik1haWwiLCJXVCI6Mn0%3D%7C3000&sdata=ZlHGRwvrxzHPHgOpPfV0xuJ7sa3TDzXc9ucgu9QkY2I%3D&reserved=0



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

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