options

Environment Variables

run_0
eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@ eval ${which_declare} ) | /usr/bin/which --tty-only --read-alias --read-functions --show-tilde --show-dot $@
ACL_BOARD_VENDOR_PATH/opt/Intel/OpenCLFPGA/oneAPI/Boards
BASH_FUNC_which%%() { ( alias;
BENCHER_TOKENeyJ0eXAiOiJKV1QiLCJhbGciOiJIUzI1NiJ9.eyJhdWQiOiJhcGlfa2V5IiwiZXhwIjo2MDAyMTgxNTQ0LCJpYXQiOjE3MDcyMTQyNDksImlzcyI6Imh0dHBzOi8vaWZmYmVuY2hlci5mei1qdWVsaWNoLmRlLyIsInN1YiI6ImQud29ydG1hbm5AZnotanVlbGljaC5kZSIsIm9yZyI6bnVsbH0.nl1nziXMisKMZrAQeClUZHX5L-LjykktkmUfZwjs5Bw
CC/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/bin/icx
CItrue
CI_API_GRAPHQL_URLhttps://iffgit.fz-juelich.de/api/graphql
CI_API_V4_URLhttps://iffgit.fz-juelich.de/api/v4
CI_BUILDS_DIR/home/gitlab-runner/builds
CI_COMMIT_AUTHORDaniel Wortmann <d.wortmann@fz-juelich.de>
CI_COMMIT_BEFORE_SHA0000000000000000000000000000000000000000
CI_COMMIT_BRANCHdevelop
CI_COMMIT_DESCRIPTIONpackaging: add FLEURiste MCP server container\n\nAdd a containerised Model Context Protocol (MCP) server that exposes\nFLEURiste's inp.xml editing capabilities as 18 tools for LLM-based\nagents.\n\nThe multi-stage Containerfile builds libfleurinpgen.so from the FLEUR\nsource tree (Ubuntu 24.04, gfortran-14), installs fleuriste + MCP SDK\ninto a Python venv, and produces a slim runtime image.\n\nIncludes:\n- mcp_server.py: FastMCP server with schema search, XML editing,\n k-point management, validation, and analysis tools\n- compose.yaml: podman-compose service definition (port 8000)\n- Containerfile: three-stage build (fortran, python, runtime)\n- README.md: usage, configuration, and client setup docs\n\nTransport: streamable-HTTP on port 8000 (SSE also supported)."
CI_COMMIT_MESSAGEpackaging: add FLEURiste MCP server container\n\nAdd a containerised Model Context Protocol (MCP) server that exposes\nFLEURiste's inp.xml editing capabilities as 18 tools for LLM-based\nagents.\n\nThe multi-stage Containerfile builds libfleurinpgen.so from the FLEUR\nsource tree (Ubuntu 24.04, gfortran-14), installs fleuriste + MCP SDK\ninto a Python venv, and produces a slim runtime image.\n\nIncludes:\n- mcp_server.py: FastMCP server with schema search, XML editing,\n k-point management, validation, and analysis tools\n- compose.yaml: podman-compose service definition (port 8000)\n- Containerfile: three-stage build (fortran, python, runtime)\n- README.md: usage, configuration, and client setup docs\n\nTransport: streamable-HTTP on port 8000 (SSE also supported)."
CI_COMMIT_MESSAGE_IS_TRUNCATEDfalse
CI_COMMIT_REF_NAMEdevelop
CI_COMMIT_REF_PROTECTEDfalse
CI_COMMIT_REF_SLUGdevelop
CI_COMMIT_SHA5348d02860cb2ef632d66d45d2dfbc3e79bd571c
CI_COMMIT_SHORT_SHA5348d028
CI_COMMIT_TIMESTAMP2026-02-28T23:30:12+01:00
CI_COMMIT_TITLEpackaging: add FLEURiste MCP server container\n\nAdd a containerised Model Context Protocol (MCP) server that exposes\nFLEURiste's inp.xml editing capabilities as 18 tools for LLM-based\nagents.\n\nThe multi-stage Containerfile builds libfleurinpgen.so from the FLEUR\nsource tree (Ubuntu 24.04, gfortran-14), installs fleuriste + MCP SDK\ninto a Python venv, and produces a slim runtime image.\n\nIncludes:\n- mcp_server.py: FastMCP server with schema search, XML editing,\n k-point management, validation, and analysis tools\n- compose.yaml: podman-compose service definition (port 8000)\n- Containerfile: three-stage build (fortran, python, runtime)\n- README.md: usage, configuration, and client setup docs\n\nTransport: streamable-HTTP on port 8000 (SSE also supported)."
CI_CONCURRENT_ID0
CI_CONCURRENT_PROJECT_ID0
CI_CONFIG_PATH.gitlab-ci.yml
CI_DEFAULT_BRANCHdevelop
CI_DEFAULT_BRANCH_SLUGdevelop
CI_DEPENDENCY_PROXY_DIRECT_GROUP_IMAGE_PREFIXiffgit.fz-juelich.de:443/fleur/dependency_proxy/containers
CI_DEPENDENCY_PROXY_GROUP_IMAGE_PREFIXiffgit.fz-juelich.de:443/fleur/dependency_proxy/containers
CI_DEPENDENCY_PROXY_PASSWORDglcbt-64_4qSyh2XPb4ujnZArrHDh
CI_DEPENDENCY_PROXY_SERVERiffgit.fz-juelich.de:443
CI_DEPENDENCY_PROXY_USERgitlab-ci-token
CI_JOB_GROUP_NAMEintel-maqao
CI_JOB_ID1162130
CI_JOB_IMAGEiffregistry.fz-juelich.de/fleur/fleur:NVHPC
CI_JOB_NAMEintel-maqao
CI_JOB_NAME_SLUGintel-maqao
CI_JOB_STAGEhtml
CI_JOB_STARTED_AT2026-03-05T04:56:54Z
CI_JOB_STARTED_AT_SLUG2026-03-05t04-56-54z
CI_JOB_STATUSrunning
CI_JOB_TIMEOUT14400
CI_JOB_TOKENglcbt-64_4qSyh2XPb4ujnZArrHDh
CI_JOB_URLhttps://iffgit.fz-juelich.de/fleur/fleur/-/jobs/1162130
CI_NODE_TOTAL1
CI_PAGES_DOMAINiffgit.fz-juelich.de
CI_PAGES_HOSTNAMEfleur.iffgit.fz-juelich.de
CI_PAGES_URLhttps://fleur.iffgit.fz-juelich.de/fleur
CI_PIPELINE_CREATED_AT2026-03-05T04:03:09Z
CI_PIPELINE_ID121461
CI_PIPELINE_IID16809
CI_PIPELINE_NAME
CI_PIPELINE_SCHEDULE_DESCRIPTIONRun the full pipeline
CI_PIPELINE_SOURCEschedule
CI_PIPELINE_URLhttps://iffgit.fz-juelich.de/fleur/fleur/-/pipelines/121461
CI_PROJECT_CLASSIFICATION_LABEL
CI_PROJECT_DESCRIPTIONAll-electron FLAPW DFT code FLEUR developed at IAS-1@FZJ.
CI_PROJECT_DIR/home/gitlab-runner/builds/fleur
CI_PROJECT_ID19
CI_PROJECT_NAMEfleur
CI_PROJECT_NAMESPACEfleur
CI_PROJECT_NAMESPACE_ID20
CI_PROJECT_NAMESPACE_SLUGfleur
CI_PROJECT_PATHfleur/fleur
CI_PROJECT_PATH_SLUGfleur-fleur
CI_PROJECT_REPOSITORY_LANGUAGESfortran free form,c,motorola 68k assembly,fortran,python
CI_PROJECT_ROOT_NAMESPACEfleur
CI_PROJECT_TITLEfleur
CI_PROJECT_TOPICSdft,fortran,dft fleur all-electron-dft flapw
CI_PROJECT_URLhttps://iffgit.fz-juelich.de/fleur/fleur
CI_PROJECT_VISIBILITYpublic
CI_REGISTRYiffregistry.fz-juelich.de
CI_REGISTRY_IMAGEiffregistry.fz-juelich.de/fleur/fleur
CI_REGISTRY_PASSWORDglcbt-64_4qSyh2XPb4ujnZArrHDh
CI_REGISTRY_USERgitlab-ci-token
CI_REPOSITORY_URLhttps://gitlab-ci-token:glcbt-64_4qSyh2XPb4ujnZArrHDh@iffgit.fz-juelich.de/fleur/fleur.git
CI_RUNNER_DESCRIPTIONiffcluster2004
CI_RUNNER_EXECUTABLE_ARCHlinux/amd64
CI_RUNNER_ID1681
CI_RUNNER_REVISION3153ccc6
CI_RUNNER_SHORT_TOKENzMQbHDEVZ
CI_RUNNER_TAGS["ias-1", "pgi-1", "cluster", "gpu", "rtx2080ti", "iffcluster2004"]
CI_RUNNER_VERSION17.7.0
CI_SERVERyes
CI_SERVER_FQDNiffgit.fz-juelich.de
CI_SERVER_HOSTiffgit.fz-juelich.de
CI_SERVER_NAMEGitLab
CI_SERVER_PORT443
CI_SERVER_PROTOCOLhttps
CI_SERVER_REVISION95bf6656b5a
CI_SERVER_SHELL_SSH_HOSTiffgit.fz-juelich.de
CI_SERVER_SHELL_SSH_PORT22
CI_SERVER_TLS_CA_FILE/home/gitlab-runner/builds/fleur.tmp/CI_SERVER_TLS_CA_FILE
CI_SERVER_URLhttps://iffgit.fz-juelich.de
CI_SERVER_VERSION18.9.1
CI_SERVER_VERSION_MAJOR18
CI_SERVER_VERSION_MINOR9
CI_SERVER_VERSION_PATCH1
CI_SHARED_ENVIRONMENTtrue
CI_TASKSnvidia,serial,intel,docs,debug,gpu,aiida,gfortran12,aiida
CI_TEMPLATE_REGISTRY_HOSTregistry.gitlab.com
CLASSPATH/usr/local/intel/oneapi-2024.0.1/mpi/2021.11/share/java/mpi.jar
CMAKE_PREFIX_PATH/usr/local/intel/oneapi-2024.0.1/tbb/2021.11/env/..:/usr/local/intel/oneapi-2024.0.1/mkl/2024.0/lib/cmake:/usr/local/intel/oneapi-2024.0.1/dpl/2022.3/lib/cmake/oneDPL:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/IntelDPCPP
CMPLR_ROOT/usr/local/intel/oneapi-2024.0.1/compiler/2024.0
CONFIG_FILE/etc/gitlab-runner/config.toml
CPATH/usr/local/intel/oneapi-2024.0.1/tbb/2021.11/env/../include:/usr/local/intel/oneapi-2024.0.1/mpi/2021.11/include:/usr/local/intel/oneapi-2024.0.1/mkl/2024.0/include:/usr/local/intel/oneapi-2024.0.1/dpl/2022.3/include:/usr/local/intel/oneapi-2024.0.1/dpcpp-ct/2024.0/include:/usr/local/intel/oneapi-2024.0.1/dev-utilities/2024.0/include:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/opt/oclfpga/include:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/lib/oclfpga/include
CXX/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/bin/icpx
DBUS_SESSION_BUS_ADDRESSunix:path=/run/user/997/bus
DIAGUTIL_PATH/usr/local/intel/oneapi-2024.0.1/dpcpp-ct/2024.0/etc/dpct/sys_check/sys_check.sh:/usr/local/intel/oneapi-2024.0.1/debugger/2024.0/etc/debugger/sys_check/sys_check.py:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/etc/compiler/sys_check/sys_check.sh:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/sys_check/sys_check.sh
DPL_ROOT/usr/local/intel/oneapi-2024.0.1/dpl/2022.3
FC/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/bin/ifx
FF_CLEAN_UP_FAILED_CACHE_EXTRACTfalse
FF_DISABLE_AUTOMATIC_TOKEN_ROTATIONfalse
FF_DISABLE_POWERSHELL_STDINfalse
FF_DISABLE_UMASK_FOR_DOCKER_EXECUTORfalse
FF_DISABLE_UMASK_FOR_KUBERNETES_EXECUTORfalse
FF_ENABLE_BASH_EXIT_CODE_CHECKfalse
FF_ENABLE_JOB_CLEANUPfalse
FF_GIT_URLS_WITHOUT_TOKENSfalse
FF_KUBERNETES_HONOR_ENTRYPOINTfalse
FF_LOG_IMAGES_CONFIGURED_FOR_JOBfalse
FF_NETWORK_PER_BUILDfalse
FF_POSIXLY_CORRECT_ESCAPESfalse
FF_PRINT_POD_EVENTSfalse
FF_RESOLVE_FULL_TLS_CHAINfalse
FF_RETRIEVE_POD_WARNING_EVENTStrue
FF_SCRIPT_SECTIONSfalse
FF_SECRET_RESOLVING_FAILS_IF_MISSINGtrue
FF_SET_PERMISSIONS_BEFORE_CLEANUPtrue
FF_SKIP_NOOP_BUILD_STAGEStrue
FF_TEST_FEATUREfalse
FF_TIMESTAMPSfalse
FF_USE_ADVANCED_POD_SPEC_CONFIGURATIONfalse
FF_USE_DIRECT_DOWNLOADtrue
FF_USE_DOCKER_AUTOSCALER_DIAL_STDIOtrue
FF_USE_DUMB_INIT_WITH_KUBERNETES_EXECUTORfalse
FF_USE_DYNAMIC_TRACE_FORCE_SEND_INTERVALfalse
FF_USE_FASTZIPfalse
FF_USE_GIT_BUNDLE_URIStrue
FF_USE_INIT_WITH_DOCKER_EXECUTORfalse
FF_USE_LEGACY_GCS_CACHE_ADAPTERfalse
FF_USE_LEGACY_KUBERNETES_EXECUTION_STRATEGYfalse
FF_USE_LEGACY_S3_CACHE_ADAPTERfalse
FF_USE_NATIVE_STEPSfalse
FF_USE_NEW_BASH_EVAL_STRATEGYfalse
FF_USE_POD_ACTIVE_DEADLINE_SECONDStrue
FF_USE_POWERSHELL_PATH_RESOLVERfalse
FF_USE_WINDOWS_JOB_OBJECTfalse
FF_USE_WINDOWS_LEGACY_PROCESS_STRATEGYfalse
FF_WAIT_FOR_POD_TO_BE_REACHABLEfalse
FI_PROVIDER_PATH/usr/local/intel/oneapi-2024.0.1/mpi/2021.11/opt/mpi/libfabric/lib/prov:/usr/lib64/libfabric
FPGA_VARS_ARGS
FPGA_VARS_DIR/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/opt/oclfpga
GDB_INFO/usr/local/intel/oneapi-2024.0.1/debugger/2024.0/share/info/
GITLAB_CItrue
GITLAB_ENV/home/gitlab-runner/builds/fleur.tmp/gitlab_runner_env
GITLAB_FEATURES
GITLAB_USER_EMAILd.wortmann@fz-juelich.de
GITLAB_USER_ID19
GITLAB_USER_LOGINwortmann
GITLAB_USER_NAMEDaniel Wortmann
GIT_CLONE_PATH/home/gitlab-runner/builds/fleur
HISTCONTROLignoredups
HISTSIZE1000
HOME/home/gitlab-runner
HOSTNAMEiffcluster2004
INFOPATH/usr/local/intel/oneapi-2024.0.1/debugger/2024.0/opt/debugger/lib
INTELFPGAOCLSDKROOT/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/opt/oclfpga
INTEL_PYTHONHOME/usr/local/intel/oneapi-2024.0.1/debugger/2024.0/opt/debugger
INVOCATION_IDe9342e0718754e50a80762f9da931c8d
I_MPI_ROOT/usr/local/intel/oneapi-2024.0.1/mpi/2021.11
JOURNAL_STREAM8:67991
LANGen_US.UTF-8
LD_LIBRARY_PATH/usr/local/intel/oneapi-2024.0.1/tbb/2021.11/env/../lib/intel64/gcc4.8:/usr/local/intel/oneapi-2024.0.1/mpi/2021.11/opt/mpi/libfabric/lib:/usr/local/intel/oneapi-2024.0.1/mpi/2021.11/lib:/usr/local/intel/oneapi-2024.0.1/mkl/2024.0/lib:/usr/local/intel/oneapi-2024.0.1/dpl/2022.3/lib:/usr/local/intel/oneapi-2024.0.1/debugger/2024.0/opt/debugger/lib:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/opt/oclfpga/host/linux64/lib:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/opt/compiler/lib:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/lib:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/lib:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/lib/x64:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/lib/oclfpga/host/linux64/lib:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/compiler/lib/intel64_lin:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/compiler/lib/intel64_lin
LESSOPEN||/usr/bin/lesspipe.sh %s
LIBRARY_PATH/usr/local/intel/oneapi-2024.0.1/tbb/2021.11/env/../lib/intel64/gcc4.8:/usr/local/intel/oneapi-2024.0.1/mpi/2021.11/lib:/usr/local/intel/oneapi-2024.0.1/mkl/2024.0/lib/:/usr/local/intel/oneapi-2024.0.1/dpl/2022.3/lib:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/lib:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/compiler/lib/intel64_lin:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/lib
LOGNAMEgitlab-runner
MAIL/var/spool/mail/gitlab-runner
MANPATH/usr/local/intel/oneapi-2024.0.1/mpi/2021.11/share/man:/usr/local/intel/oneapi-2024.0.1/debugger/2024.0/share/man:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/documentation/en/man/common:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/documentation/en/man/common:
MKLROOT/usr/local/intel/oneapi-2024.0.1/mkl/2024.0
NLSPATH/usr/local/intel/oneapi-2024.0.1/mkl/2024.0/share/locale/%l_%t/%N:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/lib/locale/%l_%t/%N:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/compiler/lib/intel64_lin/locale/%l_%t/%N
OCL_ICD_FILENAMESlibintelocl_emu.so:libalteracl.so:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/lib/libintelocl.so
OLDPWD/home/gitlab-runner/builds/fleur/build
OMP_NUM_THREADS4
ONEAPI_ROOT/usr/local/intel/oneapi-2024.0.1
PATH/usr/local/intel/oneapi-2024.0.1/mpi/2021.11/opt/mpi/libfabric/bin:/usr/local/intel/oneapi-2024.0.1/mpi/2021.11/bin:/usr/local/intel/oneapi-2024.0.1/mkl/2024.0/bin/:/usr/local/intel/oneapi-2024.0.1/dpcpp-ct/2024.0/bin:/usr/local/intel/oneapi-2024.0.1/dev-utilities/2024.0/bin:/usr/local/intel/oneapi-2024.0.1/debugger/2024.0/opt/debugger/bin:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/opt/oclfpga/bin:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/bin:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/lib/oclfpga/bin:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/bin/intel64:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/linux/bin:/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin
PKG_CONFIG_PATH/usr/local/intel/oneapi-2024.0.1/tbb/2021.11/env/../lib/pkgconfig:/usr/local/intel/oneapi-2024.0.1/mpi/2021.11/lib/pkgconfig:/usr/local/intel/oneapi-2024.0.1/mkl/2024.0/lib/pkgconfig:/usr/local/intel/oneapi-2024.0.1/dpl/2022.3/lib/pkgconfig:/usr/local/intel/oneapi-2024.0.1/compiler/2024.0/lib/pkgconfig:/usr/local/intel/oneapi-2024.0.1/compiler/2023.2.0/lib/pkgconfig
PWD/home/gitlab-runner/builds/fleur/build
RUNNER_TEMP_PROJECT_DIR/home/gitlab-runner/builds/fleur.tmp
SETVARS_COMPLETED1
SHELL/bin/bash
SHLVL2
SLURM_MPI_TYPEpmix_v1
SYSTEMD_EXEC_PID61614
TBBROOT/usr/local/intel/oneapi-2024.0.1/tbb/2021.11/env/..
USERgitlab-runner
XDG_DATA_DIRS/home/gitlab-runner/.local/share/flatpak/exports/share:/var/lib/flatpak/exports/share:/usr/local/share:/usr/share
XDG_RUNTIME_DIR/run/user/997
XDG_SESSION_CLASSbackground
XDG_SESSION_IDc10423
XDG_SESSION_TYPEunspecified
_/usr/bin/env
which_declaredeclare -f
}}
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