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Speed up NVHPC install in CI (parallel download, igzip, mv instead of installer copy)

Status: Open.

#101 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Jul 11, 2026

OpenACC kernel names truncated for long source paths, causing duplicate device functions (NVVM_ERROR_COMPILATION)

Status: Open.

#99 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Jul 9, 2026

GPU build fails: nvc++ can't find cublas_v2.h / cusolverDn.h (NVHPC env not forwarded to pixi build sandbox)

Status: Open.

#98 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Jul 7, 2026

pixi 0.71 breaks build-backend resolution — pixi-build-cmake <=0.3.8 cap too low (recurring; all pixi-build repos)

Status: Open.

#96 In ZimmermanGroup/SlaterGPU;

· joshkamm opened on Jun 30, 2026

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