{data,tools}[GCCcore/13.3.0,NVHPC/24.9-CUDA-12.6.0] Szip v2.1.1, HDF5 v1.14.5 w/ serial by sassy-crick · Pull Request #21632 · easybuilders/easybuild-easyconfigs

sassy-crick · 2024-10-14T10:27:58Z

(created using eb --new-pr)

…4.9-CUDA-12.6.0-serial.eb

sassy-crick · 2024-10-14T13:57:13Z

@boegelbot please test @ generoso

boegelbot · 2024-10-14T14:00:10Z

@sassy-crick: Request for testing this PR well received on login1

PR test command 'EB_PR=21632 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_21632 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

exit code: 0
output:

Submitted batch job 14463

Test results coming soon (I hope)...

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Message to humans: this is just bookkeeping information for me,
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boegelbot · 2024-10-14T14:10:38Z

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
cns1 - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/0d28529581431a7a65c153fe2aa6d816 for a full test report.

smoors · 2024-10-19T10:16:34Z

easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-NVHPC-24.9-CUDA-12.6.0-serial.eb

+ It supports an unlimited variety of datatypes, and is designed for flexible
+ and efficient I/O and for high volume and complex data."""
+
+toolchain = {'name': 'NVHPC', 'version': '24.9-CUDA-12.6.0'}


i think it's better to add -CUDA-12.6.0 to the versionsuffix instead of the version

Done. I hope that does not break anything.

That seemed to have broken something. :-(

I have reverted that back to the original version.

The problem here is that this HDF5 version has a -serial suffix.
We moved all HDF5 to mpi level, iimpi/ompi without suffix.

So it should be at nvompi instead I guess

github-actions · 2024-12-13T17:07:19Z

Updated software `HDF5-1.14.5-NVHPC-24.9-CUDA-12.6.0-serial.eb`

Diff against HDF5-1.14.5-gompi-2024a.eb

easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-gompi-2024a.eb

diff --git a/easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-gompi-2024a.eb b/easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-NVHPC-24.9-CUDA-12.6.0-serial.eb
index 5917196292..89ca88e140 100644
--- a/easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-gompi-2024a.eb
+++ b/easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-NVHPC-24.9-CUDA-12.6.0-serial.eb
@@ -1,14 +1,15 @@
 name = 'HDF5'
 # Note: Odd minor releases are only RCs and should not be used.
 version = '1.14.5'
+versionsuffix = "-serial"
 
 homepage = 'https://portal.hdfgroup.org/display/support'
 description = """HDF5 is a data model, library, and file format for storing and managing data.
  It supports an unlimited variety of datatypes, and is designed for flexible
  and efficient I/O and for high volume and complex data."""
 
-toolchain = {'name': 'gompi', 'version': '2024a'}
-toolchainopts = {'pic': True, 'usempi': True}
+toolchain = {'name': 'NVHPC', 'version': '24.9-CUDA-12.6.0'}
+toolchainopts = {'pic': True}
 
 source_urls = ['https://github.com/HDFGroup/hdf5/archive']
 sources = ['hdf5_%(version)s.tar.gz']
@@ -19,9 +20,4 @@ dependencies = [
     ('Szip', '2.1.1'),
 ]
 
-postinstallcmds = [
-    'sed -i -r "s, -I[^[:space:]]+H5FDsubfiling , -I%(installdir)s/include ,g" %(installdir)s/bin/h5c++',
-    'sed -i -r "s, -I[^[:space:]]+H5FDsubfiling , -I%(installdir)s/include ,g" %(installdir)s/bin/h5pcc',
-]
-
 moduleclass = 'data'

Diff against HDF5-1.14.5-iimpi-2024a.eb

easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-iimpi-2024a.eb

diff --git a/easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-iimpi-2024a.eb b/easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-NVHPC-24.9-CUDA-12.6.0-serial.eb
index 153463a223..89ca88e140 100644
--- a/easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-iimpi-2024a.eb
+++ b/easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-NVHPC-24.9-CUDA-12.6.0-serial.eb
@@ -1,23 +1,20 @@
 name = 'HDF5'
 # Note: Odd minor releases are only RCs and should not be used.
 version = '1.14.5'
+versionsuffix = "-serial"
 
 homepage = 'https://portal.hdfgroup.org/display/support'
 description = """HDF5 is a data model, library, and file format for storing and managing data.
  It supports an unlimited variety of datatypes, and is designed for flexible
  and efficient I/O and for high volume and complex data."""
 
-toolchain = {'name': 'iimpi', 'version': '2024a'}
-toolchainopts = {'pic': True, 'usempi': True}
+toolchain = {'name': 'NVHPC', 'version': '24.9-CUDA-12.6.0'}
+toolchainopts = {'pic': True}
 
 source_urls = ['https://github.com/HDFGroup/hdf5/archive']
 sources = ['hdf5_%(version)s.tar.gz']
 checksums = ['c83996dc79080a34e7b5244a1d5ea076abfd642ec12d7c25388e2fdd81d26350']
 
-# replace src include path with installation dir for $H5BLD_CPPFLAGS
-_regex = 's, -I[^[:space:]]+H5FDsubfiling , -I%(installdir)s/include ,g'
-postinstallcmds = ['sed -i -r "%s" %%(installdir)s/bin/%s' % (_regex, x) for x in ['h5c++', 'h5pcc']]
-
 dependencies = [
     ('zlib', '1.3.1'),
     ('Szip', '2.1.1'),

Diff against HDF5-1.14.3-iimpi-2023b.eb

easybuild/easyconfigs/h/HDF5/HDF5-1.14.3-iimpi-2023b.eb

diff --git a/easybuild/easyconfigs/h/HDF5/HDF5-1.14.3-iimpi-2023b.eb b/easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-NVHPC-24.9-CUDA-12.6.0-serial.eb
index e180d8619e..89ca88e140 100644
--- a/easybuild/easyconfigs/h/HDF5/HDF5-1.14.3-iimpi-2023b.eb
+++ b/easybuild/easyconfigs/h/HDF5/HDF5-1.14.5-NVHPC-24.9-CUDA-12.6.0-serial.eb
@@ -1,29 +1,22 @@
 name = 'HDF5'
 # Note: Odd minor releases are only RCs and should not be used.
-version = '1.14.3'
+version = '1.14.5'
+versionsuffix = "-serial"
 
 homepage = 'https://portal.hdfgroup.org/display/support'
 description = """HDF5 is a data model, library, and file format for storing and managing data.
  It supports an unlimited variety of datatypes, and is designed for flexible
  and efficient I/O and for high volume and complex data."""
 
-toolchain = {'name': 'iimpi', 'version': '2023b'}
-toolchainopts = {'pic': True, 'usempi': True}
+toolchain = {'name': 'NVHPC', 'version': '24.9-CUDA-12.6.0'}
+toolchainopts = {'pic': True}
 
-source_urls = ['https://support.hdfgroup.org/ftp/HDF5/releases/hdf5-%(version_major_minor)s/hdf5-%(version)s/src']
-sources = [SOURCELOWER_TAR_GZ]
-patches = ['HDF5-1.14.3_suppress_fp_exceptions.patch']
-checksums = [
-    {'hdf5-1.14.3.tar.gz': '09cdb287aa7a89148c1638dd20891fdbae08102cf433ef128fd345338aa237c7'},
-    {'HDF5-1.14.3_suppress_fp_exceptions.patch': 'bf33e579c93a16043c54b266321bbe95e4a8797f7fe6d096a13ce905ed2ffde7'},
-]
-
-# replace src include path with installation dir for $H5BLD_CPPFLAGS
-_regex = 's, -I[^[:space:]]+H5FDsubfiling , -I%(installdir)s/include ,g'
-postinstallcmds = ['sed -i -r "%s" %%(installdir)s/bin/%s' % (_regex, x) for x in ['h5c++', 'h5pcc']]
+source_urls = ['https://github.com/HDFGroup/hdf5/archive']
+sources = ['hdf5_%(version)s.tar.gz']
+checksums = ['c83996dc79080a34e7b5244a1d5ea076abfd642ec12d7c25388e2fdd81d26350']
 
 dependencies = [
-    ('zlib', '1.2.13'),
+    ('zlib', '1.3.1'),
     ('Szip', '2.1.1'),
 ]

sassy-crick · 2025-04-15T11:14:08Z

Testbuild with EasyBuild/5.0.0 can be found here

sassy-crick · 2025-04-15T11:23:47Z

@boegelbot please test @ jsc-zen3

boegelbot · 2025-04-15T11:30:09Z

@sassy-crick: Request for testing this PR well received on jsczen3l1.int.jsc-zen3.fz-juelich.de

PR test command 'if [[ develop != 'develop' ]]; then EB_BRANCH=develop ./easybuild_develop.sh 2> /dev/null 1>&2; EB_PREFIX=/home/boegelbot/easybuild/develop source init_env_easybuild_develop.sh; fi; EB_PR=21632 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_21632 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 6172

Test results coming soon (I hope)...

Details

- notification for comment with ID 2804718051 processed

Message to humans: this is just bookkeeping information for me,
it is of no use to you (unless you think I have a bug, which I don't).

boegelbot · 2025-04-15T11:37:28Z

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (2 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/0f20a34880fc3826c09cf889a2980288 for a full test report.

sassy-crick added the update label Oct 14, 2024

adding easyconfigs: Szip-2.1.1-GCCcore-13.3.0.eb, HDF5-1.14.5-NVHPC-2…

9adc993

…4.9-CUDA-12.6.0-serial.eb

sassy-crick mentioned this pull request Oct 14, 2024

{phys}[nvofbf/2024.9] VASP v6.4.3 w/ hdf5 #21641

Open

4 tasks

smoors reviewed Oct 19, 2024

View reviewed changes

CUDA string moved to versionsuffix as suggested

d67836f

Versionsuffix change reverted

4d05c5b

sassy-crick added the 2024a issues & PRs related to 2024a common toolchains label Aug 18, 2025

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github-actions bot commented Dec 13, 2024 • edited Loading Uh oh! There was an error while loading. Please reload this page.

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Updated software HDF5-1.14.5-NVHPC-24.9-CUDA-12.6.0-serial.eb

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Updated software `HDF5-1.14.5-NVHPC-24.9-CUDA-12.6.0-serial.eb`