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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Upgrade dependencies to fix conda search for dependencies #1046

Closed dariavh closed 1 year ago

dariavh commented 1 year ago

Short description

The latest Docker builds hang when solving the environment, causing the build to fail.

Related issues

1043

To do

dariavh commented 1 year ago

@guacke @xdvriend At the moment, all builds are successful except for the conda macOS build, which appears to halt randomly during the build of DoubleLondonHermiteCoulombIntegral.cpp, without a clear error message. Despite attempting to increase the macOS version to 12, the issue still persists. The conda installer is able to detect all necessary dependencies, so I am currently unsure of how to proceed with solving this problem. Should we disable the macOS conda build?

PS: The Linux conda build does not start when the macOS conda build fails, but as you can see, the Linux conda build succeeds when disabling the macOS version.