Multiwfn forum / make noGUI

Re: make noGUI

dummy@example.com (sobereva) — Mon, 16 May 2022 04:18:41 +0000

Dear Igor,

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

Best,

Tian

Re: make noGUI

dummy@example.com (i.s.ger) — Mon, 16 May 2022 01:56:29 +0000

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

Re: make noGUI

dummy@example.com (sobereva) — Sun, 15 May 2022 08:15:37 +0000

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

Re: make noGUI

dummy@example.com (i.s.ger) — Sun, 15 May 2022 01:07:03 +0000

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

Re: make noGUI

dummy@example.com (sobereva) — Fri, 13 May 2022 17:02:43 +0000

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

Re: make noGUI

dummy@example.com (i.s.ger) — Fri, 13 May 2022 16:02:37 +0000

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

Re: make noGUI

dummy@example.com (i.s.ger) — Fri, 13 May 2022 15:52:48 +0000

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

Re: make noGUI

dummy@example.com (sobereva) — Fri, 13 May 2022 14:01:41 +0000

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

Re: make noGUI

dummy@example.com (i.s.ger) — Thu, 12 May 2022 19:02:39 +0000

Dear Tian Lu,

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

Best regards,
Igor

Re: make noGUI

dummy@example.com (sobereva) — Tue, 10 May 2022 06:33:12 +0000

Nice idea!

make noGUI

dummy@example.com (i.s.ger) — Tue, 10 May 2022 05:51:26 +0000

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