Murat Keçeli

I searched for a simple cmake command such as `DISABLE_THRIFT` or something similar to compile and benchmark a subset of serializers, but couldn't find any. Is there any simple way...

Conda installation doesn't work

3

**Describe the bug** Conda installation fails with either `The environment is inconsistent, please check the package plan carefully` or it proceeds with installing an older version (0.11.0) of QCFractal, which...

I got the following error, when I tried to run FFN training with numpy 1.18: `numpy.AxisError: axis 4 is out of bounds for array of dimension 4` Looks like it...

Typedef redefinition error

5

I see the error below while importing a module with cppyy bindings only on a system with OpenMPI 4.1.1. I am not sure if the problem is the MPI version...

Problems on building and running tests on Ubuntu 20.04

2

I just wanted to report the problems in building and running cppyy tests on Ubuntu 20.04. I added CI runs on my [fork](https://github.com/keceli/cppyy/actions/runs/3019220307) to make sure these problems are reproducible....

Error related to MPI and the default constructor when debug mode is enabled

3

I see an error that appears only if I enable the debug mode in cppyy. ```python import cppyy cppyy.set_debug() from parallelzone import parallelzone as pz comm = pz.runtime.RuntimeView() ``` The...

Reproducibility of RMG

7

Below is a sample RMG input file which you can observe that RMG produces different outputs (Final_Model.txt) even on the same machine. ``` Database: RMG_database MaxCarbonNumberPerSpecies: 10 MaxOxygenNumberPerSpecies: 0 MaxRadicalNumberPerSpecies:...

RMG style

1

As we discussed in RMG meeting, it would be a good time to format the code once we come to the release stage. Eclipse has a built-in formatter style named...