AGgiornamento/Update Openbabel - 3 errori/errors

[MikiLinux]

Ciao (english message below)

eccomi di nuovo per Openbabel -> Бесконечная история (фильм)/La storia infinita (film)

Tre (3) errori.

******************************************************************

1) nel file spec trovo questa riga:

Код: Выделить всё

%ifarch %{e2k}
LDFLAGS='%{ldflags} -ltirpc'
%endif

Che tipo di variabile è e2k? Lo chiedo perché con questa variabile nel file .spec ottengo questo errore se provo a compilare:

Undefined References

Se invece sostuisco con queste righe compila senza alcun problema.

Код: Выделить всё

%ifarch x86_64 i686
LDFLAGS='%{ldflags} -ltirpc'
%endif

******************************************************************

2) Durante la procedura di cmake ho il non riconoscimento di Maeparser e Coordgen anche se sono installati:

Maestro/Coordgen not supported

Ho rimosso queste due righe dal file spec e la procedura di CMake ora riconosce le installate librerie Maeparser e Coordgen.

Код: Выделить всё

 -DWITH_MAEPARSER:BOOL=OFF \
 -DWITH_COORDGEN:BOOL=OFF \

******************************************************************

3) Con la precedente versione 3.1.1-6 provando ad elencare i formati supportati veniva restituito l'errore:

Unable to find openbabel plugins

Per questo problema ho applicato questa patch al file spec.

https://bugzilla.redhat.com/show_bug.cgi?id=2112710
https://bugzilla.redhat.com/show_bug.cgi?id=2087071

Alla fine di tutti questi cambi il programma elenca i formati e funziona regolarmente esattamente come nei seguenti video:

https://rutube.ru/video/a9aeb68ba9eb827 ... 68b31204d/
https://rutube.ru/video/072814167bb7e06 ... 3f79d0586/
https://rutube.ru/video/fd1d589693b87da ... 4488f63c2/

Formati dei composti, ad esempio da PubChem: https://pubchem.ncbi.nlm.nih.gov

Lista formati supportati/List supported formats

Esempio conversione/Conversion example

#############################################################


Hi, me again for openbabel

3 errors

******************************************************************

1) From this code in spec's file:

Код: Выделить всё

%ifarch %{e2k}
LDFLAGS='%{ldflags} -ltirpc'
%endif

I see e2k variable. What type of variable is this? I ask because with this variable in spec's file I have this error if I try to compile

Undefined References

But if I change with this code no problem at all

Код: Выделить всё

%ifarch x86_64 i686
LDFLAGS='%{ldflags} -ltirpc'
%endif

******************************************************************

2) In cmake procedure with Maeparser and Coordgen devel packages installed I have:

Maestro/Coordgen not supported

But if I remove this 2 lines of code from spec's file, installed devel packages Maeparser and Coordgen will be supported:

Код: Выделить всё

 -DWITH_MAEPARSER:BOOL=OFF \
 -DWITH_COORDGEN:BOOL=OFF \

******************************************************************

3) With previous version 3.1.1-6 if I try to list supported format I have this error

Unable to find openbabel plugins

For this purpose I applied this patch to spec's file

https://bugzilla.redhat.com/show_bug.cgi?id=2112710
https://bugzilla.redhat.com/show_bug.cgi?id=2087071

And now works very well, like this tutorial

https://rutube.ru/video/a9aeb68ba9eb827 ... 68b31204d/
https://rutube.ru/video/072814167bb7e06 ... 3f79d0586/
https://rutube.ru/video/fd1d589693b87da ... 4488f63c2/

Compund format file, e.g. from PubChem: https://pubchem.ncbi.nlm.nih.gov

Lista formati supportati/List supported formats

Esempio conversione/Conversion example

[MikiLinux]

Verificate/testate/correggete eventuali errori e aggiornate il repositorio. Allegato file .zip

Checking/correcting/testing any errors and add the change to the repository. Enclosed file .zip.

[irton]

-DWITH_MAEPARSER:BOOL=OFF \
-DWITH_COORDGEN:BOOL=OFF \

Fedora also disable it's

I see e2k variable. What type of variable is this?

this macros for Elbrus processors. Rosa have this macros and it's work.

OK i implement fixes in 2023.1 - please check and say me "work fine" and i change rosa2021.1 platform.

[MikiLinux]

La versione attuale 3.1.1-4 di Openbabel funziona bene sulla piattaforma 2021.1. Suggerisco di non cambiarlo anche perché è legato a versioni "interne" delle librerie Maeparser e Coordgenlib.

In giornata proverò la GUI Avogadro su entrambe le piattaforme (2021.1 e 2023.1).

please check and say me "work fine" and i change rosa2021.1 platform.

Version 3.1.1-4 in platform 2021.1 works very well. I suggest don't change it because it' binding to "Internal packages" of Maeparser and Coordgenlib.

Now i will try GUI Avogadro (https://two.avogadro.cc/) in each platforms (2021.1 and 2023.1).

[irton]

openbabel-3.1.1-5 now in 2021.1

[MikiLinux]

openbabel-3.1.1-5 now in 2021.1

works fine on 2021.1 also.