Re: [Open Babel] Buidling OpenBabel devel. lib for windows / msys / mingw64
Le 21/02/2018 à 21:11, Noel O'Boyle a écrit : The MinGW situation isn't great right now. There's a bug filed to sort it out, and we welcome any help. The easiest way to fix your immediate problem would be to rename regex.h to old_regex.h, wipe your build directory and rebuild. AFAIK, this is an optional component and so gamessukformat will be skipped (I think). Otherwise, let us know. - Noel Dear Noel, thanks for your answer, it works ! Best regards. Sébastien -- === Dr. Sébastien Le Roux Ingénieur de Recherche CNRS Institut de Physique et Chimie des Matériaux de Strasbourg Département des Matériaux Organiques 23, rue du Loess BP 43 F-67034 Strasbourg Cedex 2, France E-mail: sebastien.ler...@ipcms.unistra.fr Webpage: http://www.ipcms.unistra.fr/?page_id=14965&lang=en RINGS project: http://rings-code.sourceforge.net/ ISAACS project: http://isaacs.sourceforge.net/ Fax: +33 3 88 10 72 46 Phone: +33 3 88 10 71 58 === -- Check out the vibrant tech community on one of the world's most engaging tech sites, Slashdot.org! http://sdm.link/slashdot___ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
[Open Babel] Using OpenBabel devel. lib for windows / msys / mingw64
Dear all,
same guy here trying to use the devel. lib of Openbabel for windows
(msys, mingw64),
thanks to Noel O'Boyle I managed to build the lib, and after that build
my program ...
only to see that I could not open a file using babel on windows,
openbabel systematically
fails on the conv.Read or conv.ReadFile instructions, and I have no clue
why ...
any idea to help me ?
Thanks in advance for your help, again ...
Best regards.
Sébastien
Here is my code:
---
OBConversion conv;
std::string filename;
filename = this_file;
std::string fileformat;
fileformat = this_format;
std::ifstream ifs(filename.c_str());
if (! ifs)
{
// Error reading file
cout<<"Reading failed";
return 1;
}
OBFormat * format = conv.FormatFromExt(fileformat.c_str());
if(! conv.SetInFormat(format))
{
cout<<"Set In Format failed";
// Error with this format
return 2;
}
OBMol mol;
conv.AddOption("b", OBConversion::INOPTIONS);
if (! conv.Read(& mol, &ifs))
{
// Error reading molecule in file
cout<<"Reading molecule failed";
// It always return at this point ...
// Note that before I tried to open the file using "ReadFile (&mol,
filename.c_str()))"
// the result was the same.
return 3;
}
if (mol.HasData(OBGenericDataType::UnitCell))
{
OBUnitCell * uc = (OBUnitCell *)mol.GetData(OBGenericDataType::UnitCell);
if (strcmp(this_format, "cif") == 0) uc -> FillUnitCell (&mol);
}
---
--
===
Dr. Sébastien Le Roux
Ingénieur de Recherche CNRS
Institut de Physique et Chimie des Matériaux de Strasbourg
Département des Matériaux Organiques
23, rue du Loess
BP 43
F-67034 Strasbourg Cedex 2, France
E-mail: sebastien.ler...@ipcms.unistra.fr
Webpage: http://www.ipcms.unistra.fr/?page_id=14965&lang=en
RINGS project: http://rings-code.sourceforge.net/
ISAACS project: http://isaacs.sourceforge.net/
Fax: +33 3 88 10 72 46
Phone: +33 3 88 10 71 58
===
--
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot
___
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
Re: [Open Babel] Using OpenBabel devel. lib for windows / msys / mingw64
I'll try to sort this out asap. Unfortunately, we don't have a build server
for MinGW (or indeed Cygwin) and so it tends to bit rot. It has worked in
the past though, and we should get it working again.
Actually, I just looked up AppVeyor, and it seems they also support MinGW
(as well as our current MSVC build), so if we get it going, we can ensure
that it stays working in future.
Regards,
- Noel
On 22 February 2018 at 16:34, Sébastien Le Roux <
sebastien.ler...@ipcms.unistra.fr> wrote:
> Dear all,
> same guy here trying to use the devel. lib of Openbabel for windows (msys,
> mingw64),
> thanks to Noel O'Boyle I managed to build the lib, and after that build my
> program ...
> only to see that I could not open a file using babel on windows, openbabel
> systematically
> fails on the conv.Read or conv.ReadFile instructions, and I have no clue
> why ...
> any idea to help me ?
>
> Thanks in advance for your help, again ...
>
> Best regards.
>
> Sébastien
>
> Here is my code:
>
>
> ---
>
> OBConversion conv;
> std::string filename;
>
> filename = this_file;
> std::string fileformat;
>
> fileformat = this_format;
> std::ifstream ifs(filename.c_str());
>
> if (! ifs)
> {
> // Error reading file
> cout<<"Reading failed";
> return 1;
> }
>
> OBFormat * format = conv.FormatFromExt(fileformat.c_str());
> if(! conv.SetInFormat(format))
> {
> cout<<"Set In Format failed";
> // Error with this format
> return 2;
> }
>
> OBMol mol;
> conv.AddOption("b", OBConversion::INOPTIONS);
>
> if (! conv.Read(& mol, &ifs))
> {
>
> // Error reading molecule in file
> cout<<"Reading molecule failed";
>
> // It always return at this point ...
> // Note that before I tried to open the file using "ReadFile (&mol,
> filename.c_str()))"
> // the result was the same.
>
> return 3;
> }
>
> if (mol.HasData(OBGenericDataType::UnitCell))
> {
> OBUnitCell * uc = (OBUnitCell *)mol.GetData(OBGenericDataTyp
> e::UnitCell);
> if (strcmp(this_format, "cif") == 0) uc -> FillUnitCell (&mol);
> }
>
>
>
> ---
>
> --
> ===
> Dr. Sébastien Le Roux
> Ingénieur de Recherche CNRS
> Institut de Physique et Chimie des Matériaux de Strasbourg
> Département des Matériaux Organiques
> 23, rue du Loess
>
> BP 43
> F-67034 Strasbourg Cedex 2, France
> E-mail: sebastien.ler...@ipcms.unistra.fr
> Webpage: http://www.ipcms.unistra.fr/?page_id=14965&lang=en
> RINGS project: http://rings-code.sourceforge.net/
> ISAACS project: http://isaacs.sourceforge.net/
> Fax: +33 3 88 10 72 46
> Phone: +33 3 88 10 71 58
> ===
>
>
--
Check out the vibrant tech community on one of the world's most
engaging tech sites, Slashdot.org! http://sdm.link/slashdot___
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
