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#1 Multiwfn and wavefunction analysis » Build fails: Cannot open module file 'mod_2f2.mod' for reading » 2024-05-01 08:13:56

yurivict
Replies: 1

It looks like mod_2f2.mod isn't built before its use, see the log: https://pkg-status.freebsd.org/beefy18/ … -3.8_2.log

Is there any chance that this would be fixed and a new version released?

Thank you,
Yuri (maintainer of the FreeBSD port)

#2 Re: Multiwfn and wavefunction analysis » Is there a testsuite that can validate the build? » 2023-06-20 21:22:28

Hi Tian,

The source tarball has no file with the name CH3CONH2.fch
I found this file in the GitHub project https://github.com/stecue/gMultiwfn but this project is outdated, it is not at version 3.8


Yuri

#3 Multiwfn and wavefunction analysis » Is there a testsuite that can validate the build? » 2023-06-20 16:38:50

yurivict
Replies: 3

I've updated the FreeBSD port for Multiwfn: https://cgit.freebsd.org/ports/tree/science/multiwfn to 3.8

However, it isn't clear how to quickly verify that built binaries actually work.

Is there a test suite that can be run with a single command that can validate main features in built binaries?

For example, they typically add "check" or "test" target to Makefile that does this.

#4 Multiwfn and wavefunction analysis » Where is the source for dislin_d-11.0.a? » 2023-05-04 23:56:01

yurivict
Replies: 1

I tried to compile the latest version 3.8 on FreeBSD, but there is no source for the static library dislin_d-11.0.a that is in the source tarball.

Where is the source of dislin_d-11.0.a ?


Thank you,
Yuri

#6 Multiwfn and wavefunction analysis » Please make it compatible with gfortran » 2018-08-25 18:30:25

yurivict
Replies: 2

I tried to build it on FreeBSD, and it doesn't build.

After replacing ifort->gfortran, removing some ifort-specific options, and adding -ffree-line-length-none, it still fails:

gfortran7 -O1 -openmp -pthread -openmp-link=static -ffree-line-length-none -c define.f90
define.f90:50:38:

character*10 :: colorname(15)=(/"Red","Green","Blue","White","Black","Gray","Cyan","Yellow","Orange","Magenta","Crimson","Dark green","Purple","Brown","Dark blue"/) !Color name involved setcolor/selcolor routine
                                      1
Error: Different CHARACTER lengths (3/5) in array constructor at (1)
define.f90:410:4:

use defvar
    1
Fatal Error: Can't open module file 'defvar.mod' for reading at (1): No such file or directory

-----------------

ifort isn't available on FreeBSD, it is closed-source.

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