Guillaume Acke
Guillaume Acke
This PR enables continuous integration with Github Actions. The resulting *.pdf's can be found by clicking on the green ✔️ next to the respective commits.
**Short description** This PR will focus on providing Sylabs.io cloud support for Singularity containers. **Related issues** When converting our Docker files to Singularity containers, we encounter difficulties with hanging kernels...
Before resubmitting our paper, I would also like to (at least partially) solve the following user-related issues: - [x] Issue #967 - [x] Issue #958 - [x] Issue #937 -...
The version of GQCP should be set in one location and should then be propagated to all CI/CD workflows (Github release branches, Conda, Docker, EasyBuild).
**Describe the bug** In the most recent CI/CD pipeline, this test is failing. **Additional context** This could be related to disabling the `march=native` flag for Docker builds. As suggested by...
**Describe the bug** The Libcint interface leads to segmentation faults on the Docker infrastructure. **To Reproduce** Run the unit test as standalone **Operating system** - Docker: latest **Additional context** This...