Hello Antonio,
On Fri, Sep 24, 2021 at 7:50 PM Antonio T. sagitter
<sagitter@xxxxxxxxxxxxxxxxx> wrote:
>
> Even the porting to openbabel3 of 'xdrawchem' is done.
> Please, can anyone that uses these software test them?
I spun up a Fedora 35 VM and installed everything from your copr,
didn't mess with any system settings. Here's what I've got.
* xdrawchem:
I hadn't used it since Molsketch was revived a few years ago and I'm
not sure if everything was working as expected. My guess was that
structure refinement ("clean up molecule") and the SMILES/InChi output
had to do with Open Babel, so I tried those. For SMILES, regardless of
the atom type, I always get an asterisk, e.g. **** for butane. Double
bonds and such are correctly placed in the star-filled strings though.
InChi crashed the program:
==============================
*** Open Babel Warning in InChI code
#1 :Unsupported in this mode element '*'
==============================
*** Open Babel Error in InChI code
InChI generation failed
/usr/include/c++/11/bits/basic_string.h:1058:
std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::reference
std::__cxx11::basic_string<_CharT, _Traits,
_Alloc>::operator[](std::__cxx11::basic_string<_CharT, _Traits,
_Alloc>::size_type) [with _CharT = char; _Traits =
std::char_traits<char>; _Alloc = std::allocator<char>;
std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::reference =
char&; std::__cxx11::basic_string<_CharT, _Traits, _Alloc>::size_type
= long unsigned int]: Assertion '__pos <= size()' failed.
Aborted (core dumped)
Structure cleanup sort of works, but as 2D projections of the actual
3D structures, which is not that great-looking for a 2D drawing
program.
* gnome-chemistry-utils:
While the (right) gnome-chemistry-utils-libs package is installed, I
could not get the individual programs to start, e.g.
$ gcrystal
gcrystal: error while loading shared libraries: libgcu-0.14.so.0:
cannot open shared object file: No such file or directory
$ gchemcalc
gchemcalc: error while loading shared libraries: libgcugtk-0.14.so.0:
cannot open shared object file: No such file or directory
* Avogadro2:
Avogadro appears to be working, but I can't see anything on the
canvas, it displays whatever window is behind it on the screen, or the
wallpaper if there's nothing else there. Maybe a Wayland bug?
I will try with a Fedora 34 VM later and report back.
P.S.: I have never used ghemical, so I didn't try it.
_______________________________________________
devel mailing list -- devel@xxxxxxxxxxxxxxxxxxxxxxx
To unsubscribe send an email to devel-leave@xxxxxxxxxxxxxxxxxxxxxxx
Fedora Code of Conduct: https://docs.fedoraproject.org/en-US/project/code-of-conduct/
List Guidelines: https://fedoraproject.org/wiki/Mailing_list_guidelines
List Archives: https://lists.fedoraproject.org/archives/list/devel@xxxxxxxxxxxxxxxxxxxxxxx
Do not reply to spam on the list, report it: https://pagure.io/fedora-infrastructure
