GQCG / GQCP

The Ghent Quantum Chemistry Package for electronic structure calculations

https://gqcg.github.io/GQCP/

GNU Lesser General Public License v3.0

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Bugfix for conda CI. #982

Closed dariavh closed 3 years ago

dariavh commented 3 years ago

Short description

This PR tries to solve the include errors in PR #980 and makes sure that the conda CI works for pushes on develop and on pull requests.

Related issues

980.

To do

[ ] (if applicable, when creating new source files): don't forget to update the Doxygen file, the collective gqcp.hpp include header and the CMake files
[ ] Add other smaller task to be completed as a Markdown task list

dariavh commented 3 years ago

@lelemmen @guacke The conda builds in #980 did not work due to a GCC compiler upgrade to version 11 recently. After including the right libraries in some header files, the CI is up and running again.

During the fix, I noticed that the conda build always used the last commit on develop as a starting point instead of the HEAD on the current branch, meaning that conda builds on pull requests were not testing the pull requests themselves. This is solved in this PR as well.