Skip to content

Commit 63b883e

Browse files
ocaisaocaisa
authored
Merge pull request #1069 from casparvl/icelake_cclake_batch13
{2023.06}[icelake,cascadelake] EasyStacks batch 13: 052 - 055
2 parents e7ea419 + adbaa20 commit 63b883e

5 files changed

Lines changed: 156 additions & 1 deletion

File tree

‎easystacks/software.eessi.io/2023.06/icelake_cclake/052-eb-4.9.4.yml‎

Lines changed: 5 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,5 @@
1+
# 052-eb-4.9.4.yml: total build duration = 381 minutes
2+
easyconfigs:
3+
- /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:
4+
options:
5+
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

‎easystacks/software.eessi.io/2023.06/icelake_cclake/053-eb-4.9.1.yml‎

Lines changed: 11 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,11 @@
1+
# 053-eb-4.9.1.yml: total build duration = 5 minutes
2+
easyconfigs:
3+
- /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:
4+
options:
5+
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
6+
- /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:
7+
options:
8+
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
9+
- /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:
10+
options:
11+
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

‎easystacks/software.eessi.io/2023.06/icelake_cclake/054-eb-4.9.4.yml‎

Lines changed: 5 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,5 @@
1+
# 054-eb-4.9.4.yml: total build duration = 0 minutes
2+
easyconfigs:
3+
- /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:
4+
options:
5+
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

‎easystacks/software.eessi.io/2023.06/icelake_cclake/055-eb-4.9.1.yml‎

Lines changed: 131 additions & 0 deletions
Original file line numberDiff line numberDiff line change
@@ -0,0 +1,131 @@
1+
# 055-eb-4.9.1.yml: total build duration = 203 minutes
2+
easyconfigs:
3+
- /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:
4+
options:
5+
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
6+
- /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:
7+
options:
8+
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
9+
- /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:
10+
options:
11+
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
12+
- Java-17.eb:
13+
options:
14+
include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Java/17.0.6/easybuild/reprod/easyblocks/*.py
15+
- /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Java/17.0.6/easybuild/Java-17.0.6.eb:
16+
options:
17+
include-easyblocks: /cvmfs/software.eessi.io/versions/2023.06/software/linux/x86_64/intel/haswell/software/Java/17.0.6/easybuild/reprod/easyblocks/*.py
18+
- /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:
19+
options:
20+
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
21+
- /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:
22+
options:
23+
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
24+
- /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:
25+
options:
26+
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
27+
- /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:
28+
options:
29+
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
30+
- /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:
31+
options:
32+
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
33+
- /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:
34+
options:
35+
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
36+
- /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:
37+
options:
38+
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
39+
- /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:
40+
options:
41+
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
42+
- /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:
43+
options:
44+
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
45+
- /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:
46+
options:
47+
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
48+
- /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:
49+
options:
50+
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
51+
- /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:
52+
options:
53+
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
54+
- /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:
55+
options:
56+
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
57+
- /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:
58+
options:
59+
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
60+
- /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:
61+
options:
62+
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
63+
- /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:
64+
options:
65+
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
66+
- /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:
67+
options:
68+
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
69+
- /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:
70+
options:
71+
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
72+
- /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:
73+
options:
74+
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
75+
- /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:
76+
options:
77+
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
78+
- /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:
79+
options:
80+
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
81+
- /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:
82+
options:
83+
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
84+
- /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:
85+
options:
86+
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
87+
- /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:
88+
options:
89+
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
90+
- /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:
91+
options:
92+
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
93+
- /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:
94+
options:
95+
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
96+
- /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:
97+
options:
98+
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
99+
- /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:
100+
options:
101+
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
102+
- /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:
103+
options:
104+
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
105+
- /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:
106+
options:
107+
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
108+
- /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:
109+
options:
110+
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
111+
- /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:
112+
options:
113+
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
114+
- /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:
115+
options:
116+
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
117+
- /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:
118+
options:
119+
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
120+
- /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:
121+
options:
122+
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
123+
- /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:
124+
options:
125+
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
126+
- /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:
127+
options:
128+
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
129+
- /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:
130+
options:
131+
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

‎eb_hooks.py‎

Lines changed: 4 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -615,7 +615,10 @@ def pre_configure_hook_gromacs(self, *args, **kwargs):
615615
"""
616616
if self.name == 'GROMACS':
617617
cpu_target = get_eessi_envvar('EESSI_SOFTWARE_SUBDIR')
618-
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:
618+
if (
619+
(LooseVersion(self.version) <= LooseVersion('2024.1') and cpu_target == CPU_TARGET_NEOVERSE_V1) or
620+
(LooseVersion(self.version) <= LooseVersion('2024.4') and cpu_target == CPU_TARGET_NVIDIA_GRACE)
621+
):
619622
self.cfg.update('configopts', '-DGMX_SIMD=ARM_NEON_ASIMD')
620623
print_msg(
621624
"Avoiding use of SVE instructions for GROMACS %s by using ARM_NEON_ASIMD as GMX_SIMD value",

0 commit comments

Comments
 (0)