Multiwfn forum

i.s.ger

Member

Registered: 2020-12-01

Posts: 55

make noGUI

Dear Tian Lu,

I want to have a simple building system for Multiwfn, so I created the following patch:
0001-make-noGUI-target.patch.txt

It adds two targets:
1. `make GUI` which creates Multiwfn with GUI
2. `make noGUI` which creates Multiwfn_noGUI without GUI

Simple running of `make` creates both executables.

I created a dummy implementation of DISLIN library in noGUI/dislin_d_empty.F90. It has an additional routine doesnotexist which can show the calling of DISLIN routines if this file is compiled with -DDEBUG flag. This allows me to not process each source file for removing GUI-related lines of code.

Best regards,
Igor

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: make noGUI

Nice idea!

i.s.ger

Member

Registered: 2020-12-01

Posts: 55

Re: make noGUI

Dear Tian Lu,

Will you incorporate this patch into the official source code of Multiwfn?

Best regards,
Igor

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: make noGUI

Dear Igor,

Because I think the current compilation procedure is convenient enough, while the patch will introduce new file dependency, therefore I prefer to keep the current Makefile unchanged.

Best regards,

Tian

i.s.ger

Member

Registered: 2020-12-01

Posts: 55

Re: make noGUI

Dear Tian Lu,

What is the problem with new file dependency? It is active only for noGUI version.

Usually, I'm developing noGUI version, so, for me, it would be extremely greater if I won't be needed to have a preprocessing script. That was the idea of the patch.

Best regards,
Igor

i.s.ger

Member

Registered: 2020-12-01

Posts: 55

Re: make noGUI

By the way, on the top of this patch, I wrote the CMake build system, so, module-dependency is solved automatically :-) Also, it works fine for Windows (at least, with noGUI version).

Best regards,
Igor

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: make noGUI

Dear Igor,

I will test the compliation after applying the patch recently when I have spare time; if there is no exception, I will incorporate the change into official code in the next update.

Best,

Tian

i.s.ger

Member

Registered: 2020-12-01

Posts: 55

Re: make noGUI

Dear Tian Lu,

I checked the applicability of the patch to the current version of Multiwfn. I used command

patch < 0001-make-noGUI-target.patch

for applying the patch under Linux. Most of the changes are done successfully, except moving of `dislin_d-11.0.a` to `GUI/dislin_d-11.0.a` and, unfortunately, it creates `dislin_d_empty.F90` in the main source directory, not in `noGUI/dislin_d_empty.F90`, as I expected, so, the moving of this file is also required.

Best regards,
Igor

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: make noGUI

Dear Igor,

I just uploaded new source code package of Multiwfn to official site. Your patch has been applied, with minor modifications (compilation arguments of dummy interface, file extension, position of disiln .a file).

Best regards,

Tian

i.s.ger

Member

Registered: 2020-12-01

Posts: 55

Re: make noGUI

Dear Tian Lu,

Thank you so much!

I think now old noGUI-related files can be just dropped.

BTW, could you please rename COMPLIATION_METHOD.txt to COMPILATION_METHOD.txt?

Best regards,
Igor

sobereva

Tian Lu (Multiwfn developer)

From: Beijing

Registered: 2017-09-11

Posts: 1,468

Website

Re: make noGUI

Dear Igor,

I have renamed, it is a typo. Redundant files have been removed.

Best,

Tian