{lib}[foss/2024a] heat v1.6.0 by ClaudiaComito · Pull Request #23857 · easybuilders/easybuild-easyconfigs

ClaudiaComito · 2025-09-12T16:45:19Z

(created using eb --new-pr)

…a.eb and patches: heat-1.6.0-license-fix.patch

github-actions · 2025-09-12T16:45:45Z

Updated software `heat-1.6.0-gompi-2024a.eb`

Diff against heat-1.6.0-gpsmpi-2024a.eb

easybuild/easyconfigs/h/heat/heat-1.6.0-gpsmpi-2024a.eb

diff --git a/easybuild/easyconfigs/h/heat/heat-1.6.0-gpsmpi-2024a.eb b/easybuild/easyconfigs/h/heat/heat-1.6.0-gompi-2024a.eb
index 22ddd29bff..129e6a3b00 100644
--- a/easybuild/easyconfigs/h/heat/heat-1.6.0-gpsmpi-2024a.eb
+++ b/easybuild/easyconfigs/h/heat/heat-1.6.0-gompi-2024a.eb
@@ -9,12 +9,11 @@ Heat builds on PyTorch and mpi4py to provide high-performance computing infrastr
 memory-intensive applications within the NumPy/SciPy ecosystem.
 """
 
-toolchain = {'name': 'gpsmpi', 'version': '2024a'}
+toolchain = {'name': 'foss', 'version': '2024a'}
 
 source_urls = ['https://pypi.python.org/packages/source/h/%(name)s']
 sources = [SOURCELOWER_TAR_GZ]
 patches = ['heat-1.6.0-license-fix.patch']
-
 checksums = [
     {'%(name)s-%(version)s.tar.gz': 'cd011e67c284b7f94d0f1c6ff8bf5309535fa26a895b0db2df83290c47dae55b'},
     {'heat-1.6.0-license-fix.patch': 'fd45ba7e5761209f6a7e0fbd28dabf5b82fb1e0db78e3fa1596de2f4df2bf016'},
@@ -22,17 +21,13 @@ checksums = [
 
 dependencies = [
     ('Python', '3.12.3'),
-    ('PyTorch', '2.5.1', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
-    ('torchvision', '0.20.1', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
-    ('SciPy-bundle', '2024.05', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
+    ('PyTorch', '2.6.0'),
+    ('torchvision', '0.21.0'),
+    ('SciPy-bundle', '2024.05'),
     ('Pillow-SIMD', '10.4.0'),
     ('mpi4py', '4.0.1'),
 ]
 
-use_pip = True
-sanity_pip_check = True
-
-download_dep_fail = True
 
 sanity_check_paths = {
     'files': [],

Updated software `heat-1.6.0-gpsmpi-2024a.eb`

Diff against heat-1.6.0-gompi-2024a.eb

easybuild/easyconfigs/h/heat/heat-1.6.0-gompi-2024a.eb

diff --git a/easybuild/easyconfigs/h/heat/heat-1.6.0-gompi-2024a.eb b/easybuild/easyconfigs/h/heat/heat-1.6.0-gpsmpi-2024a.eb
index 129e6a3b00..22ddd29bff 100644
--- a/easybuild/easyconfigs/h/heat/heat-1.6.0-gompi-2024a.eb
+++ b/easybuild/easyconfigs/h/heat/heat-1.6.0-gpsmpi-2024a.eb
@@ -9,11 +9,12 @@ Heat builds on PyTorch and mpi4py to provide high-performance computing infrastr
 memory-intensive applications within the NumPy/SciPy ecosystem.
 """
 
-toolchain = {'name': 'foss', 'version': '2024a'}
+toolchain = {'name': 'gpsmpi', 'version': '2024a'}
 
 source_urls = ['https://pypi.python.org/packages/source/h/%(name)s']
 sources = [SOURCELOWER_TAR_GZ]
 patches = ['heat-1.6.0-license-fix.patch']
+
 checksums = [
     {'%(name)s-%(version)s.tar.gz': 'cd011e67c284b7f94d0f1c6ff8bf5309535fa26a895b0db2df83290c47dae55b'},
     {'heat-1.6.0-license-fix.patch': 'fd45ba7e5761209f6a7e0fbd28dabf5b82fb1e0db78e3fa1596de2f4df2bf016'},
@@ -21,13 +22,17 @@ checksums = [
 
 dependencies = [
     ('Python', '3.12.3'),
-    ('PyTorch', '2.6.0'),
-    ('torchvision', '0.21.0'),
-    ('SciPy-bundle', '2024.05'),
+    ('PyTorch', '2.5.1', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
+    ('torchvision', '0.20.1', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
+    ('SciPy-bundle', '2024.05', '', ('gcccoreflexiblas', '13.3.0-3.4.4')),
     ('Pillow-SIMD', '10.4.0'),
     ('mpi4py', '4.0.1'),
 ]
 
+use_pip = True
+sanity_pip_check = True
+
+download_dep_fail = True
 
 sanity_check_paths = {
     'files': [],

Thyre · 2025-09-12T17:31:38Z

Thanks for trying to upstream the EasyConfig 😄
There are a few differences from what we have at JSC and how e.g. toolchains are handled here. I'll take a quick look later.

ClaudiaComito · 2025-09-12T17:38:00Z

Thanks for trying to upstream the EasyConfig 😄 There are a few differences from what we have at JSC and how e.g. toolchains are handled here. I'll take a quick look later.

Thanks for the "trying" 😂 and thanks for all the help @Thyre !

Thyre · 2025-09-12T17:55:35Z

Thanks for the "trying" 😂 and thanks for all the help @Thyre !

I didn't want to be harsh or anything. I'm genuinely happy when people from JSC bring some of our efforts we do at our software stage back here, since that benefits everyone 😀

ClaudiaComito · 2025-09-12T18:07:26Z

Thanks for the "trying" 😂 and thanks for all the help @Thyre !

I didn't want to be harsh or anything. I'm genuinely happy when people from JSC bring some of our efforts we do at our software stage back here, since that benefits everyone 😀

You weren't harsh at all, I genuinely laughed! you've been a huge help all day. I learned so much on easyconfigs this week, that I thought I better ship this one upstream now, before I forget everything.

I'll fix the PR on Monday... or at least try :) Thanks again, have a great weekend!

Co-authored-by: Jan André Reuter <[email protected]>

Thyre · 2025-09-15T08:25:10Z

@boegelbot please test @ jsc-zen3

Thyre · 2025-09-15T08:26:41Z

@ClaudiaComito Can you rename the PR to reflect the changes? {lib}[foss/2024a] heat v1.6.0 should be correct 😄

Looks good to me otherwise, lets see if the test build works.

boegelbot · 2025-09-15T08:30:12Z

@Thyre: 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=23857 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_23857 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 7946

Test results coming soon (I hope)...

Details

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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 · 2025-09-15T08:31:37Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.6, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/6c15cacb34969bd7645c8367f483ccbd for a full test report.

Thyre · 2025-09-15T09:10:35Z

@ClaudiaComito, you'll need to rename the EasyConfig for the new toolchain as well:

 AssertionError: 'heat-1.6.0-gompi-2024a.eb' != 'heat-1.6.0-foss-2024a.eb'
- heat-1.6.0-gompi-2024a.eb
?            ^ ^^^
+ heat-1.6.0-foss-2024a.eb
?            ^ ^^
 : Filename '/home/runner/work/easybuild-easyconfigs/easybuild-easyconfigs/easybuild/easyconfigs/h/heat/heat-1.6.0-gompi-2024a.eb' of parsed easyconfig matches expected filename 'heat-1.6.0-foss-2024a.eb'

boegelbot · 2025-09-15T10:01:23Z

Test report by @boegelbot
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.6, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/30d318f97bc5ad240eda3e352629002d for a full test report.

jfgrimm · 2025-09-15T10:19:26Z

== 2025-09-15 10:01:19,669 build_log.py:226 ERROR EasyBuild encountered an error (at easybuild/easybuild-framework/easybuild/base/exceptions.py:126 in __init__): `/project/def-maintainers/boegelbot/rocky9/zen3/software/Python/3.12.3-GCCcore-13.3.0/bin/python -m pip check` failed:
heat 1.6.0 has requirement scipy~=1.14, but you have scipy 1.13.1.

jfgrimm · 2025-09-17T14:02:45Z

@ClaudiaComito do you know if heat actually requires scipy v1.14, or can we get away with using v1.13.1 (which is the version we have in SciPy-bundle for this toolchain generation)?

ClaudiaComito · 2025-09-17T14:52:42Z

@ClaudiaComito do you know if heat actually requires scipy v1.14, or can we get away with using v1.13.1 (which is the version we have in SciPy-bundle for this toolchain generation)?

Hi @jfgrimm, sorry for the delay. I'm pretty sure Scipy 1.13 will be fine. What's the best way to fix it? One more patch? Thanks!

Thyre · 2025-09-17T15:02:19Z

A patch like this (as an example) would work, or one could simply sed the version. I think a patch would be the safer option.

…ito/easybuild-easyconfigs into 20250912184515_new_pr_heat160

jfgrimm · 2025-09-17T15:22:19Z

indeed, either of the following is fine:

a patch to the pyproject.toml
a sed command, e.g. preinstallopts = "sed -i 's/scipy~=1.14/scipy>1.13/g' pyproject.toml &&"

jfgrimm · 2025-09-17T15:28:13Z

@boegelbot please test @ jsc-zen3

req. changes made

boegelbot · 2025-09-17T15:30:09Z

@jfgrimm: 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=23857 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_23857 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 7972

Test results coming soon (I hope)...

Details

- notification for comment with ID 3303537890 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 · 2025-09-17T15:30:26Z

Test report by @boegelbot
FAILED
Build succeeded for 0 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.6, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/130fbb463d704c9c1bd33bf7d02ac869 for a full test report.

ClaudiaComito · 2025-09-17T15:39:47Z

Test report by @boegelbot FAILED Build succeeded for 0 out of 1 (1 easyconfigs in total) jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.6, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21 See https://gist.github.com/boegelbot/130fbb463d704c9c1bd33bf7d02ac869 for a full test report.

In principle Heat 1.6 no longer supports python 3.9. But I suppose if the available pytorch version supports python 3.9, I can put in another patch

Co-authored-by: Jasper Grimm <[email protected]>

jfgrimm · 2025-09-17T15:45:10Z

@boegelbot please test @ jsc-zen3

boegelbot · 2025-09-17T15:50:11Z

@jfgrimm: 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=23857 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_23857 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 7973

Test results coming soon (I hope)...

Details

- notification for comment with ID 3303601771 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 · 2025-09-17T15:51:49Z

Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.6, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/02f5300864b9fd06dbddd06656414385 for a full test report.

jfgrimm

LGTM
thanks for the contribution @ClaudiaComito (and @Thyre)

adding easyconfigs: heat-1.6.0-gompi-2024a.eb, heat-1.6.0-gpsmpi-2024…

d24c433

…a.eb and patches: heat-1.6.0-license-fix.patch

github-actions Bot added the update label Sep 12, 2025

ClaudiaComito mentioned this pull request Sep 12, 2025

Easybuild recipe for new release helmholtz-analytics/heat#1971

Open

Thyre added the 2024a issues & PRs related to 2024a common toolchains label Sep 12, 2025

Thyre reviewed Sep 12, 2025

View reviewed changes

ClaudiaComito and others added 6 commits September 15, 2025 10:05

Update easybuild/easyconfigs/h/heat/heat-1.6.0-gompi-2024a.eb

ec2f976

Co-authored-by: Jan André Reuter <[email protected]>

Update torchvision dep

54d83e0

Co-authored-by: Jan André Reuter <[email protected]>

Remove gcccoreflexiblas reference

ffc89cf

Co-authored-by: Jan André Reuter <[email protected]>

Update toolchain

4fbf7b2

Co-authored-by: Jan André Reuter <[email protected]>

Remove explicit defaults

5685489

Co-authored-by: Jan André Reuter <[email protected]>

remove gpsmpi version

3d19e19

github-actions Bot added new and removed update labels Sep 15, 2025

ClaudiaComito added 2 commits September 15, 2025 10:19

add patch description

6fc8997

update patch checksum

c62f993

ClaudiaComito changed the title ~~{lib}[gompi/2024a,gpsmpi/2024a] heat v1.6.0~~ {lib}[foss/2024a] heat v1.6.0 Sep 15, 2025

Thyre added the ready-to-review label Sep 15, 2025

rename easyconfig

92b41da

jfgrimm previously requested changes Sep 15, 2025

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Comment thread easybuild/easyconfigs/h/heat/heat-1.6.0-foss-2024a.eb

jfgrimm added this to the 5.x milestone Sep 15, 2025

Thyre removed the ready-to-review label Sep 16, 2025

ClaudiaComito added 3 commits September 17, 2025 17:17

patch scipy version

b856a6b

add scipy version patch

37bcaf6

Merge branch '20250912184515_new_pr_heat160' of github.com:ClaudiaCom…

b11c5cd

…ito/easybuild-easyconfigs into 20250912184515_new_pr_heat160

jfgrimm reviewed Sep 17, 2025

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Comment thread easybuild/easyconfigs/h/heat/heat-1.6.0-scipy-version.patch Outdated

Update easybuild/easyconfigs/h/heat/heat-1.6.0-scipy-version.patch

871f7fb

Co-authored-by: Jasper Grimm <[email protected]>

jfgrimm reviewed Sep 17, 2025

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Comment thread easybuild/easyconfigs/h/heat/heat-1.6.0-foss-2024a.eb Outdated

Update easybuild/easyconfigs/h/heat/heat-1.6.0-foss-2024a.eb

75d7739

Co-authored-by: Jasper Grimm <[email protected]>

jfgrimm approved these changes Sep 17, 2025

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jfgrimm modified the milestones: 5.x, release after 5.1.2 (5.2.0?) Sep 17, 2025

jfgrimm enabled auto-merge September 17, 2025 15:55

jfgrimm merged commit c24fbf8 into easybuilders:develop Sep 17, 2025
8 checks passed

ClaudiaComito deleted the 20250912184515_new_pr_heat160 branch September 18, 2025 07:59

boegel modified the milestones: release after 5.1.2 (5.2.0?), next release (5.1.2) Sep 23, 2025

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Updated software heat-1.6.0-gompi-2024a.eb

Updated software heat-1.6.0-gpsmpi-2024a.eb

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github-actions Bot commented Sep 12, 2025 •

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Updated software `heat-1.6.0-gompi-2024a.eb`

Updated software `heat-1.6.0-gpsmpi-2024a.eb`

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