From fd902c90c96f0b8c1d049885eef6425ea1153ecf Mon Sep 17 00:00:00 2001 From: Caspar van Leeuwen Date: Sun, 4 May 2025 12:23:57 +0200 Subject: [PATCH 1/4] Batch 13, easystacks 052 - 055 --- .../2023.06/icelake_cclake/052-eb-4.9.4.yml | 5 + .../2023.06/icelake_cclake/053-eb-4.9.1.yml | 11 ++ .../2023.06/icelake_cclake/054-eb-4.9.4.yml | 5 + .../2023.06/icelake_cclake/055-eb-4.9.1.yml | 131 ++++++++++++++++++ 4 files changed, 152 insertions(+) create mode 100644 easystacks/software.eessi.io/2023.06/icelake_cclake/052-eb-4.9.4.yml create mode 100644 easystacks/software.eessi.io/2023.06/icelake_cclake/053-eb-4.9.1.yml create mode 100644 easystacks/software.eessi.io/2023.06/icelake_cclake/054-eb-4.9.4.yml create mode 100644 easystacks/software.eessi.io/2023.06/icelake_cclake/055-eb-4.9.1.yml diff --git a/easystacks/software.eessi.io/2023.06/icelake_cclake/052-eb-4.9.4.yml b/easystacks/software.eessi.io/2023.06/icelake_cclake/052-eb-4.9.4.yml new file mode 100644 index 0000000000..a2eabd6728 --- /dev/null +++ b/easystacks/software.eessi.io/2023.06/icelake_cclake/052-eb-4.9.4.yml @@ -0,0 +1,5 @@ +# 052-eb-4.9.4.yml: total build duration = 381 minutes +easyconfigs: + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/R-bundle-CRAN/2023.12-foss-2023a/easybuild/R-bundle-CRAN-2023.12-foss-2023a.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/R-bundle-CRAN/2023.12-foss-2023a/easybuild/reprod/easyblocks/*.py diff --git a/easystacks/software.eessi.io/2023.06/icelake_cclake/053-eb-4.9.1.yml b/easystacks/software.eessi.io/2023.06/icelake_cclake/053-eb-4.9.1.yml new file mode 100644 index 0000000000..240187a5f8 --- /dev/null +++ b/easystacks/software.eessi.io/2023.06/icelake_cclake/053-eb-4.9.1.yml @@ -0,0 +1,11 @@ +# 053-eb-4.9.1.yml: total build duration = 5 minutes +easyconfigs: + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/arrow-R/14.0.1-foss-2023a-R-4.3.2/easybuild/arrow-R-14.0.1-foss-2023a-R-4.3.2.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/arrow-R/14.0.1-foss-2023a-R-4.3.2/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/networkx/3.2.1-gfbf-2023b/easybuild/networkx-3.2.1-gfbf-2023b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/networkx/3.2.1-gfbf-2023b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/mpi4py/3.1.5-gompi-2023b/easybuild/mpi4py-3.1.5-gompi-2023b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/mpi4py/3.1.5-gompi-2023b/easybuild/reprod/easyblocks/*.py diff --git a/easystacks/software.eessi.io/2023.06/icelake_cclake/054-eb-4.9.4.yml b/easystacks/software.eessi.io/2023.06/icelake_cclake/054-eb-4.9.4.yml new file mode 100644 index 0000000000..ba012abe9b --- /dev/null +++ b/easystacks/software.eessi.io/2023.06/icelake_cclake/054-eb-4.9.4.yml @@ -0,0 +1,5 @@ +# 054-eb-4.9.4.yml: total build duration = 0 minutes +easyconfigs: + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/scikit-build-core/0.9.3-GCCcore-13.2.0/easybuild/scikit-build-core-0.9.3-GCCcore-13.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/scikit-build-core/0.9.3-GCCcore-13.2.0/easybuild/reprod/easyblocks/*.py diff --git a/easystacks/software.eessi.io/2023.06/icelake_cclake/055-eb-4.9.1.yml b/easystacks/software.eessi.io/2023.06/icelake_cclake/055-eb-4.9.1.yml new file mode 100644 index 0000000000..d10974efbe --- /dev/null +++ b/easystacks/software.eessi.io/2023.06/icelake_cclake/055-eb-4.9.1.yml @@ -0,0 +1,131 @@ +# 055-eb-4.9.1.yml: total build duration = 203 minutes +easyconfigs: + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/GROMACS/2024.1-foss-2023b/easybuild/GROMACS-2024.1-foss-2023b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/GROMACS/2024.1-foss-2023b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ESPResSo/4.2.2-foss-2023a/easybuild/ESPResSo-4.2.2-foss-2023a.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ESPResSo/4.2.2-foss-2023a/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ipympl/0.9.3-gfbf-2023a/easybuild/ipympl-0.9.3-gfbf-2023a.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ipympl/0.9.3-gfbf-2023a/easybuild/reprod/easyblocks/*.py + - Java-17.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Java/17.0.6/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Java/17.0.6/easybuild/Java-17.0.6.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Java/17.0.6/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/GATK/4.5.0.0-GCCcore-12.3.0-Java-17/easybuild/GATK-4.5.0.0-GCCcore-12.3.0-Java-17.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/GATK/4.5.0.0-GCCcore-12.3.0-Java-17/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ffnvcodec/11.1.5.2/easybuild/ffnvcodec-11.1.5.2.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ffnvcodec/11.1.5.2/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/x264/20230226-GCCcore-12.2.0/easybuild/x264-20230226-GCCcore-12.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/x264/20230226-GCCcore-12.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/SDL2/2.26.3-GCCcore-12.2.0/easybuild/SDL2-2.26.3-GCCcore-12.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/SDL2/2.26.3-GCCcore-12.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Yasm/1.3.0-GCCcore-12.2.0/easybuild/Yasm-1.3.0-GCCcore-12.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Yasm/1.3.0-GCCcore-12.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/x265/3.5-GCCcore-12.2.0/easybuild/x265-3.5-GCCcore-12.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/x265/3.5-GCCcore-12.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/FFmpeg/5.1.2-GCCcore-12.2.0/easybuild/FFmpeg-5.1.2-GCCcore-12.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/FFmpeg/5.1.2-GCCcore-12.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ParaView/5.11.1-foss-2022b/easybuild/ParaView-5.11.1-foss-2022b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ParaView/5.11.1-foss-2022b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Pysam/0.22.0-GCC-12.3.0/easybuild/Pysam-0.22.0-GCC-12.3.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Pysam/0.22.0-GCC-12.3.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Biopython/1.83-foss-2023a/easybuild/Biopython-1.83-foss-2023a.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Biopython/1.83-foss-2023a/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/pyfaidx/0.8.1.1-GCCcore-12.3.0/easybuild/pyfaidx-0.8.1.1-GCCcore-12.3.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/pyfaidx/0.8.1.1-GCCcore-12.3.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ISA-L/2.30.0-GCCcore-12.3.0/easybuild/ISA-L-2.30.0-GCCcore-12.3.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ISA-L/2.30.0-GCCcore-12.3.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/python-isal/1.1.0-GCCcore-12.3.0/easybuild/python-isal-1.1.0-GCCcore-12.3.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/python-isal/1.1.0-GCCcore-12.3.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/WhatsHap/2.2-foss-2023a/easybuild/WhatsHap-2.2-foss-2023a.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/WhatsHap/2.2-foss-2023a/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Flask/2.2.3-GCCcore-12.2.0/easybuild/Flask-2.2.3-GCCcore-12.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Flask/2.2.3-GCCcore-12.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Tkinter/3.10.8-GCCcore-12.2.0/easybuild/Tkinter-3.10.8-GCCcore-12.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Tkinter/3.10.8-GCCcore-12.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/cppy/1.2.1-GCCcore-12.2.0/easybuild/cppy-1.2.1-GCCcore-12.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/cppy/1.2.1-GCCcore-12.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/spglib-python/2.0.2-gfbf-2022b/easybuild/spglib-python-2.0.2-gfbf-2022b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/spglib-python/2.0.2-gfbf-2022b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Pillow/9.4.0-GCCcore-12.2.0/easybuild/Pillow-9.4.0-GCCcore-12.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Pillow/9.4.0-GCCcore-12.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/matplotlib/3.7.0-gfbf-2022b/easybuild/matplotlib-3.7.0-gfbf-2022b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/matplotlib/3.7.0-gfbf-2022b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ASE/3.22.1-gfbf-2022b/easybuild/ASE-3.22.1-gfbf-2022b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/ASE/3.22.1-gfbf-2022b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/scikit-learn/1.4.0-gfbf-2023b/easybuild/scikit-learn-1.4.0-gfbf-2023b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/scikit-learn/1.4.0-gfbf-2023b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/tqdm/4.66.2-GCCcore-13.2.0/easybuild/tqdm-4.66.2-GCCcore-13.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/tqdm/4.66.2-GCCcore-13.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/NLTK/3.8.1-foss-2023b/easybuild/NLTK-3.8.1-foss-2023b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/NLTK/3.8.1-foss-2023b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/DendroPy/4.5.2-GCCcore-12.2.0/easybuild/DendroPy-4.5.2-GCCcore-12.2.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/DendroPy/4.5.2-GCCcore-12.2.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/SEPP/4.5.1-foss-2022b/easybuild/SEPP-4.5.1-foss-2022b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/SEPP/4.5.1-foss-2022b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/cpio/2.15-GCCcore-12.3.0/easybuild/cpio-2.15-GCCcore-12.3.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/cpio/2.15-GCCcore-12.3.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/LMDB/0.9.31-GCCcore-12.3.0/easybuild/LMDB-0.9.31-GCCcore-12.3.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/LMDB/0.9.31-GCCcore-12.3.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/BLAST+/2.14.1-gompi-2023a/easybuild/BLAST+-2.14.1-gompi-2023a.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/BLAST+/2.14.1-gompi-2023a/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Valgrind/3.21.0-gompi-2022b/easybuild/Valgrind-3.21.0-gompi-2022b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Valgrind/3.21.0-gompi-2022b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Valgrind/3.21.0-gompi-2023a/easybuild/Valgrind-3.21.0-gompi-2023a.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Valgrind/3.21.0-gompi-2023a/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Valgrind/3.23.0-gompi-2023b/easybuild/Valgrind-3.23.0-gompi-2023b.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Valgrind/3.23.0-gompi-2023b/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/DIAMOND/2.1.8-GCC-12.3.0/easybuild/DIAMOND-2.1.8-GCC-12.3.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/DIAMOND/2.1.8-GCC-12.3.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/FastME/2.1.6.3-GCC-12.3.0/easybuild/FastME-2.1.6.3-GCC-12.3.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/FastME/2.1.6.3-GCC-12.3.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/MMseqs2/14-7e284-gompi-2023a/easybuild/MMseqs2-14-7e284-gompi-2023a.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/MMseqs2/14-7e284-gompi-2023a/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/cimfomfa/22.273-GCCcore-12.3.0/easybuild/cimfomfa-22.273-GCCcore-12.3.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/cimfomfa/22.273-GCCcore-12.3.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/MCL/22.282-GCCcore-12.3.0/easybuild/MCL-22.282-GCCcore-12.3.0.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/MCL/22.282-GCCcore-12.3.0/easybuild/reprod/easyblocks/*.py + - /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/OrthoFinder/2.5.5-foss-2023a/easybuild/OrthoFinder-2.5.5-foss-2023a.eb: + options: + include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/OrthoFinder/2.5.5-foss-2023a/easybuild/reprod/easyblocks/*.py From f51b15642ada14350ece3f4bb3f56f08b4cdd66b Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Sun, 4 May 2025 22:04:41 +0200 Subject: [PATCH 2/4] fix condition in GROMACS hook --- eb_hooks.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/eb_hooks.py b/eb_hooks.py index 6d9a067ab9..a4ed62c5f9 100644 --- a/eb_hooks.py +++ b/eb_hooks.py @@ -615,7 +615,7 @@ def pre_configure_hook_gromacs(self, *args, **kwargs): """ if self.name == 'GROMACS': cpu_target = get_eessi_envvar('EESSI_SOFTWARE_SUBDIR') - if LooseVersion(self.version) <= LooseVersion('2024.1') and cpu_target == CPU_TARGET_NEOVERSE_V1 or LooseVersion(self.version) <= LooseVersion('2024.4') and CPU_TARGET_NVIDIA_GRACE: + if (LooseVersion(self.version) <= LooseVersion('2024.1') and cpu_target == CPU_TARGET_NEOVERSE_V1) or (LooseVersion(self.version) <= LooseVersion('2024.4') and CPU_TARGET_NVIDIA_GRACE): self.cfg.update('configopts', '-DGMX_SIMD=ARM_NEON_ASIMD') print_msg( "Avoiding use of SVE instructions for GROMACS %s by using ARM_NEON_ASIMD as GMX_SIMD value", From eab65380f865dd3f83a071a03c8ac2290bdeafb1 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Sun, 4 May 2025 23:02:46 +0200 Subject: [PATCH 3/4] break long if statement into multiple lines --- eb_hooks.py | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/eb_hooks.py b/eb_hooks.py index a4ed62c5f9..0ca464ce76 100644 --- a/eb_hooks.py +++ b/eb_hooks.py @@ -615,7 +615,10 @@ def pre_configure_hook_gromacs(self, *args, **kwargs): """ if self.name == 'GROMACS': cpu_target = get_eessi_envvar('EESSI_SOFTWARE_SUBDIR') - if (LooseVersion(self.version) <= LooseVersion('2024.1') and cpu_target == CPU_TARGET_NEOVERSE_V1) or (LooseVersion(self.version) <= LooseVersion('2024.4') and CPU_TARGET_NVIDIA_GRACE): + if ( + (LooseVersion(self.version) <= LooseVersion('2024.1') and cpu_target == CPU_TARGET_NEOVERSE_V1) or + (LooseVersion(self.version) <= LooseVersion('2024.4') and CPU_TARGET_NVIDIA_GRACE) + ): self.cfg.update('configopts', '-DGMX_SIMD=ARM_NEON_ASIMD') print_msg( "Avoiding use of SVE instructions for GROMACS %s by using ARM_NEON_ASIMD as GMX_SIMD value", From de21325a854343cf7bc8f8a6b20d5285e4cc3690 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?Bob=20Dr=C3=B6ge?= Date: Mon, 5 May 2025 08:35:19 +0200 Subject: [PATCH 4/4] another fix for CPU target comparison in GROMACS hook --- eb_hooks.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/eb_hooks.py b/eb_hooks.py index 0ca464ce76..eae80ce7df 100644 --- a/eb_hooks.py +++ b/eb_hooks.py @@ -617,7 +617,7 @@ def pre_configure_hook_gromacs(self, *args, **kwargs): cpu_target = get_eessi_envvar('EESSI_SOFTWARE_SUBDIR') if ( (LooseVersion(self.version) <= LooseVersion('2024.1') and cpu_target == CPU_TARGET_NEOVERSE_V1) or - (LooseVersion(self.version) <= LooseVersion('2024.4') and CPU_TARGET_NVIDIA_GRACE) + (LooseVersion(self.version) <= LooseVersion('2024.4') and cpu_target == CPU_TARGET_NVIDIA_GRACE) ): self.cfg.update('configopts', '-DGMX_SIMD=ARM_NEON_ASIMD') print_msg(