Tamas Stenczel
Tamas Stenczel
Tried updating to V2 in my actions for a C++ project which uses catch2 for tests. This change broke the coverage upload, because no files were found: ``` ==> linux...
**Summary** Introduce a new dump format, an extended xyz format, which can store arbitrary atomic and global properties as well, see [1] **Detailed Description** Similar to the `dump custom` command,...
New build system with CMake and minor changes in the code related to it.
Do you have a tried and tested github actions script for using sparrow within projects with CI/CD? I am trying to install Sparrow in a github actions environment for testing...
### Is your feature request related to a problem? Please describe. I am finding that there is no distribution for M1 Mac machines on `conda-forge` ### Describe the solution you'd...
Wrapping of interfaces was implemented recently by relying on the wrapped code to raise exceptions when the wrong one is being used and continue to the next one. Currently the...
### Describe the bug A single point calculation that completed on version `v20.1` cannot be evaluated with `v20.2` and `v22.1`. This is a specific example, a pair of `OH` separated...
I am having trouble installing from source on an M2 Mac. ``` pip install . sella-issue-1 09:06:50 am Processing /private/tmp/sella-issue-1/sella Installing build dependencies ... done Getting requirements to build...
How to avoid pytest from writing on all MPI processes? If I run ``` $mpirun -n 2 python -m pytest --with-mpi ============================= test session starts ============================== platform darwin -- Python...