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production

General interest repository for CSCS users

pysirius-examples

q-e-sirius

SIRIUS-enabled Quantum ESPRESSO

qe2sirius.json

scripts for converting QE input files to SIRIUS json-format

qmcpack

Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.

qmcpack-compilation-daint

Scripts to build QMCPACK on Piz Daint

qmk_firmware

keyboard controller firmware for Atmel AVR and ARM USB families

sirius

Domain specific library for electronic structure calculations

sirius-docker

sirius-docker-jupyterlab

Docker with SIRIUS installed + Jupyterlab server

sirius-python-examples

slurm-cluster

Docker local slurm cluster

slurm-container

slurm-uenv-mount

spacemacs-org-jira

org-jira Spacemacs layer

spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

spack-stack

fast spack builds on slow filesystem

species

Pseudopotential and full-potential species files in JSON format

spfft

Sparse 3D FFT library with MPI, OpenMP, CUDA and ROCm support

spla

Specialized Parallel Linear Algebra, providing distributed GEMM functionality for specific matrix distributions with optional GPU acceleration.

squashfs-mount

Setuid instead of FUSE for mounting squashfs files.

squashfuse

FUSE filesystem to mount squashfs archives

sssp-pseudo-corrected-metadata

Fix mesh_size entry in SSSP pseudos

sssp-verify-scripts

scripts of submitting and post-process sssp verification run

stackinator

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

tiled-mm

Matrix multiplication on GPUs for matrices stored on a CPU. Similar to cublasXt, but ported to both NVIDIA and AMD GPUs.

upf-schema

An XML schema definition for the Unified Pseudopotential Format of the Quantum Espresso suite

upf_to_json

UPF to json converters

upf_to_json-feedstock

A conda-smithy repository for upf_to_json.