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    Multiwfn official website: http://www.shanxitv.org/multiwfn. Multiwfn forum in Chinese: http://bbs.keinsci.com/wfn. E-mail of admin: sobereva[at]sina.com

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    #1 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    I found this file in the GitHub project https://github.com/stecue/gMultiwfn but this project is outdated, it is not at version 3.8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

    #2 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.

    #3 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

    #5 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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