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Refactor output format of Mulliken charge analysis, pchg (#6969) #3243

Refactor output format of Mulliken charge analysis, pchg (#6969)

Refactor output format of Mulliken charge analysis, pchg (#6969) #3243

Triggered via push February 21, 2026 03:20
Status Failure
Total duration 21m 49s
Artifacts 1

devcontainer.yml

on: push
Matrix: build_container_and_push
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1 error and 2 warnings
build_container_and_push (intel)
buildx failed with: ERROR: failed to solve: process "/bin/bash -c source /opt/intel/oneapi/setvars.sh && cd /tmp && ELPA_VER=2022.11.001 && wget -q https://elpa.mpcdf.mpg.de/software/tarball-archive/Releases/$ELPA_VER/elpa-$ELPA_VER.tar.gz && tar xzf elpa-$ELPA_VER.tar.gz && rm elpa-$ELPA_VER.tar.gz && cd elpa-$ELPA_VER && mkdir build && cd build && ../configure CFLAGS=\"-O3 -march=native\" FCFLAGS=\"-O3 -qmkl=cluster\" --enable-openmp && make -j$(nproc) && make PREFIX=/usr/local install && ln -s /usr/local/include/elpa_openmp-$ELPA_VER/elpa /usr/local/include/ && cd /tmp && rm -rf elpa-$ELPA_VER" did not complete successfully: exit code: 8
build_container_and_push (cuda)
Attestations are only supported by buildx >= 0.10.0; the inputs 'attests', 'provenance' and 'sbom' are ignored.
build_container_and_push (intel)
Attestations are only supported by buildx >= 0.10.0; the inputs 'attests', 'provenance' and 'sbom' are ignored.

Artifacts

Produced during runtime
Name Size Digest
deepmodeling~abacus-develop~BG8I9T.dockerbuild
103 KB
sha256:76534fc9a0cc51efa51af84ad62a22f9906b2627bc6287f713be8cf6efd1e4f5