Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

OpenBabel 3 #16

Closed
RMeli opened this issue Oct 8, 2019 · 2 comments
Closed

OpenBabel 3 #16

RMeli opened this issue Oct 8, 2019 · 2 comments

Comments

@RMeli
Copy link
Member

RMeli commented Oct 8, 2019

The OpenBabel master branch now contains the alpha release of OpenBabel 3, therefore FindOpenBabel2.cmake does not work anymore.

I'm working on a solution, but it's taking more time than expected...

@RMeli
Copy link
Member Author

RMeli commented Oct 8, 2019

The new version can be found by updating FindOpenBabel2.cmake,

-- Found Open Babel include files at /usr/local/include/openbabel3
-- Found Open Babel library at /usr/local/lib/libopenbabel.so

but the pre-processor version check in atom_typer.cpp appears to be problematic:

Documents/git/libmolgrid/src/atom_typer.cpp:15:6: error: user-defined literal in preprocessor expression
 #if (OB_VERSION >= OB_VERSION_CHECK(2,4,90))
      ^~~~~~~~~~
Documents/git/libmolgrid/src/atom_typer.cpp:15:6: error: user-defined literal in preprocessor expression
 #if (OB_VERSION >= OB_VERSION_CHECK(2,4,90))
      ^~~~~~~~~~

@dkoes
Copy link
Contributor

dkoes commented Oct 8, 2019

The version check should be fixed in the latest version of openbabel master.

@RMeli RMeli closed this as completed Oct 8, 2019
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

2 participants