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adding GROMACS 2021.5 with foss/2021b to EESSI pilot 2023.06 #318

adding GROMACS 2021.5 with foss/2021b to EESSI pilot 2023.06

adding GROMACS 2021.5 with foss/2021b to EESSI pilot 2023.06 #318

Workflow file for this run

# documentation: https://help.github.com/en/articles/workflow-syntax-for-github-actions
name: Tests relying on having EESSI pilot repo mounted
on: [push, pull_request, workflow_dispatch]
permissions:
contents: read # to fetch code (actions/checkout)
jobs:
eessi_pilot_repo:
runs-on: ubuntu-20.04
strategy:
fail-fast: false
matrix:
EESSI_VERSION:
- 2023.06
EESSI_SOFTWARE_SUBDIR:
- aarch64/generic
- aarch64/neoverse_n1
- aarch64/neoverse_v1
- x86_64/amd/zen2
- x86_64/amd/zen3
- x86_64/intel/haswell
- x86_64/intel/skylake_avx512
- x86_64/generic
EASYSTACK_FILE:
- eessi-2023.06-eb-4.7.2-2021a.yml
- eessi-2023.06-eb-4.7.2-2021b.yml
- eessi-2023.06-eb-4.7.2-2022a.yml
- eessi-2023.06-eb-4.7.2-2022b.yml
- eessi-2023.06-eb-4.7.2-system.yml
steps:
- name: Check out software-layer repository
uses: actions/checkout@93ea575cb5d8a053eaa0ac8fa3b40d7e05a33cc8 # v3.1.0
- name: Mount EESSI CernVM-FS pilot repository
uses: cvmfs-contrib/github-action-cvmfs@d4641d0d591c9a5c3be23835ced2fb648b44c04b # v3.1
with:
cvmfs_config_package: https://github.com/EESSI/filesystem-layer/releases/download/latest/cvmfs-config-eessi_latest_all.deb
cvmfs_http_proxy: DIRECT
cvmfs_repositories: pilot.eessi-hpc.org
- name: Test check_missing_installations.sh script
run: |
source /cvmfs/pilot.eessi-hpc.org/versions/${{matrix.EESSI_VERSION}}/init/bash
module load EasyBuild
eb --version
export EESSI_PREFIX=/cvmfs/pilot.eessi-hpc.org/versions/${{matrix.EESSI_VERSION}}
export EESSI_OS_TYPE=linux
export EESSI_SOFTWARE_SUBDIR=${{matrix.EESSI_SOFTWARE_SUBDIR}}
env | grep ^EESSI | sort
echo "just run check_missing_installations.sh (should use eessi-${{matrix.EESSI_VERSION}}.yml)"
./check_missing_installations.sh ${{matrix.EASYSTACK_FILE}}
- name: Test check_missing_installations.sh with missing package (GCC/8.3.0)
run: |
source /cvmfs/pilot.eessi-hpc.org/versions/${{matrix.EESSI_VERSION}}/init/bash
module load EasyBuild
eb --version
export EESSI_PREFIX=/cvmfs/pilot.eessi-hpc.org/versions/${{matrix.EESSI_VERSION}}
export EESSI_OS_TYPE=linux
export EESSI_SOFTWARE_SUBDIR=${{matrix.EESSI_SOFTWARE_SUBDIR}}
env | grep ^EESSI | sort
echo "modify easystack file by adding a missing package (GCC/8.3.0)"
echo " - GCC-8.3.0:" >> ${{matrix.EASYSTACK_FILE}}
tail -n 5 ${{matrix.EASYSTACK_FILE}}
# note, check_missing_installations.sh exits 1 if a package was
# missing, which is intepreted as false (exit code based, not
# boolean logic), hence when the script exits 0 if no package was
# missing it is interpreted as true, thus the test did not capture
# the missing package
if ./check_missing_installations.sh ${{matrix.EASYSTACK_FILE}}; then
echo "did NOT capture missing package; test FAILED"
exit 1
else
echo "captured missing package; test PASSED"
exit 0
fi