Search results

Build reliability: slatergpu git-main builds fail (path-dep workaround); confirmed facet = find_package(MPI REQUIRED)

Status: Open.

#95 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Jun 19, 2026

Replace deprecated FindCUDA module with find_package(CUDAToolkit) in Config.cmake.in

Status: Open.

#93 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on May 30, 2026

Paul found a couple gaussian integral related bugs

Status: Open.

#91 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on May 20, 2026

Declare run-exports to consolidate downstream consumers' duplicate pixi.toml entries

Status: Open.

#89 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on May 12, 2026

Enable libcint 4-center 1-electron overlap integrals (WITH_4C1E)

Status: Open.

#82 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Mar 26, 2026

Paul doesn't think libcint needs to be pinned and could be any recent version

Status: Open.

#79 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Feb 25, 2026

MultiGPU runs seg fault

Status: Open.

#60 In ZimmermanGroup/SlaterGPU;

· Vaibhav-Chemistry opened on Sep 15, 2025

Configure pixi so it only recompiles when necessary

Status: Open.

#49 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Aug 13, 2025

pixi shell reruns cmake on every invocation even if nothing changed

Status: Open.

#46 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Aug 12, 2025

Instructions for running as a slurm job

Status: Open.

#45 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Aug 12, 2025

Becke grid bug

Status: Open.

#33 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Jul 3, 2025

Expand automated testing to multiple examples

Status: Open.

#30 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on May 23, 2025