{ai,bio}[foss/2024a] scvi-tools v1.4.1, captum v0.8.0 w/ CUDA 12.6.0 by pavelToman · Pull Request #25022 · easybuilders/easybuild-easyconfigs

pavelToman · 2026-01-08T14:03:21Z

(created using eb --new-pr)
resolves vscentrum/vsc-software-stack#625
requires:

{ai}[foss/2024a] PyTorch v2.7.1 w/ CUDA 12.6.0 #23923
deps from cpu version: {bio}[foss/2024a] scvi-tools v1.4.1, scanpy v1.10.4, anndata v0.11.4, ... #25021
pyro-ppl from: {ai,lib,tools}[foss/2024a] BoTorch v0.16.1, pyro-ppl v1.9.1, GPyTorch v1.14.3 w/ CUDA 12.6.0 #24916
PyTorch-Lightning + Lightning from: {ai}[foss/2024a] Lightning v2.5.6, PyTorch-Lightning v2.5.6, bitsandbytes v0.46.1 w/ CUDA 12.6.0 #25262

Do not test on jsc-zen3 - missing/failing PyTorch

…ppl-1.9.1-foss-2024a-CUDA-12.6.0.eb, captum-0.8.0-foss-2024a-CUDA-12.6.0.eb

github-actions · 2026-01-08T14:03:52Z

Updated software `captum-0.8.0-foss-2024a-CUDA-12.6.0.eb`

Diff against captum-0.8.0-foss-2024a.eb

easybuild/easyconfigs/c/captum/captum-0.8.0-foss-2024a.eb

diff --git a/easybuild/easyconfigs/c/captum/captum-0.8.0-foss-2024a.eb b/easybuild/easyconfigs/c/captum/captum-0.8.0-foss-2024a-CUDA-12.6.0.eb
index 103eda088c..4ec913695d 100644
--- a/easybuild/easyconfigs/c/captum/captum-0.8.0-foss-2024a.eb
+++ b/easybuild/easyconfigs/c/captum/captum-0.8.0-foss-2024a-CUDA-12.6.0.eb
@@ -2,6 +2,7 @@ easyblock = 'PythonBundle'
 
 name = 'captum'
 version = '0.8.0'
+versionsuffix = '-CUDA-%(cudaver)s'
 
 homepage = 'https://captum.ai/'
 description = """
@@ -15,8 +16,9 @@ domain-specific libraries such as torchvision, torchtext, and others.
 toolchain = {'name': 'foss', 'version': '2024a'}
 
 dependencies = [
+    ('CUDA', '12.6.0', '', SYSTEM),
     ('Python', '3.12.3'),
-    ('PyTorch', '2.6.0'),
+    ('PyTorch', '2.7.1', versionsuffix),
     ('matplotlib', '3.9.2'),
     ('tqdm', '4.66.5'),
     ('scikit-learn', '1.5.2'),

Diff against captum-0.5.0-foss-2022a.eb

easybuild/easyconfigs/c/captum/captum-0.5.0-foss-2022a.eb

diff --git a/easybuild/easyconfigs/c/captum/captum-0.5.0-foss-2022a.eb b/easybuild/easyconfigs/c/captum/captum-0.8.0-foss-2024a-CUDA-12.6.0.eb
index 281fab5592..4ec913695d 100644
--- a/easybuild/easyconfigs/c/captum/captum-0.5.0-foss-2022a.eb
+++ b/easybuild/easyconfigs/c/captum/captum-0.8.0-foss-2024a-CUDA-12.6.0.eb
@@ -1,7 +1,8 @@
 easyblock = 'PythonBundle'
 
 name = 'captum'
-version = '0.5.0'
+version = '0.8.0'
+versionsuffix = '-CUDA-%(cudaver)s'
 
 homepage = 'https://captum.ai/'
 description = """
@@ -9,19 +10,23 @@ Captum is a model interpretability and understanding library for PyTorch.
 Captum means comprehension in Latin and contains general purpose
 implementations of integrated gradients, saliency maps, smoothgrad, vargrad and
 others for PyTorch models. It has quick integration for models built with
-domain-specific libraries such as torchvision, torchtext, and others."""
+domain-specific libraries such as torchvision, torchtext, and others.
+"""
 
-toolchain = {'name': 'foss', 'version': '2022a'}
+toolchain = {'name': 'foss', 'version': '2024a'}
 
 dependencies = [
-    ('Python', '3.10.4'),
-    ('PyTorch', '1.12.0'),
-    ('matplotlib', '3.5.2'),
+    ('CUDA', '12.6.0', '', SYSTEM),
+    ('Python', '3.12.3'),
+    ('PyTorch', '2.7.1', versionsuffix),
+    ('matplotlib', '3.9.2'),
+    ('tqdm', '4.66.5'),
+    ('scikit-learn', '1.5.2'),
 ]
 
 exts_list = [
     (name, version, {
-        'checksums': ['84af2c8793d34c440a351793b5ca705b8542745e2dc8bc24afb1d9b86f3bf6ec'],
+        'checksums': ['73f2e5a07ffe6ac6647a6f12cd2f67f0d8f717329f150ddf08ef73cba0858d26'],
     }),
 ]

Diff against captum-0.5.0-foss-2022a-CUDA-11.7.0.eb

easybuild/easyconfigs/c/captum/captum-0.5.0-foss-2022a-CUDA-11.7.0.eb

diff --git a/easybuild/easyconfigs/c/captum/captum-0.5.0-foss-2022a-CUDA-11.7.0.eb b/easybuild/easyconfigs/c/captum/captum-0.8.0-foss-2024a-CUDA-12.6.0.eb
index eda1c5b109..4ec913695d 100644
--- a/easybuild/easyconfigs/c/captum/captum-0.5.0-foss-2022a-CUDA-11.7.0.eb
+++ b/easybuild/easyconfigs/c/captum/captum-0.8.0-foss-2024a-CUDA-12.6.0.eb
@@ -1,7 +1,7 @@
 easyblock = 'PythonBundle'
 
 name = 'captum'
-version = '0.5.0'
+version = '0.8.0'
 versionsuffix = '-CUDA-%(cudaver)s'
 
 homepage = 'https://captum.ai/'
@@ -10,20 +10,23 @@ Captum is a model interpretability and understanding library for PyTorch.
 Captum means comprehension in Latin and contains general purpose
 implementations of integrated gradients, saliency maps, smoothgrad, vargrad and
 others for PyTorch models. It has quick integration for models built with
-domain-specific libraries such as torchvision, torchtext, and others."""
+domain-specific libraries such as torchvision, torchtext, and others.
+"""
 
-toolchain = {'name': 'foss', 'version': '2022a'}
+toolchain = {'name': 'foss', 'version': '2024a'}
 
 dependencies = [
-    ('CUDA', '11.7.0', '', SYSTEM),
-    ('Python', '3.10.4'),
-    ('PyTorch', '1.12.0', '-CUDA-%(cudaver)s'),
-    ('matplotlib', '3.5.2'),
+    ('CUDA', '12.6.0', '', SYSTEM),
+    ('Python', '3.12.3'),
+    ('PyTorch', '2.7.1', versionsuffix),
+    ('matplotlib', '3.9.2'),
+    ('tqdm', '4.66.5'),
+    ('scikit-learn', '1.5.2'),
 ]
 
 exts_list = [
     (name, version, {
-        'checksums': ['84af2c8793d34c440a351793b5ca705b8542745e2dc8bc24afb1d9b86f3bf6ec'],
+        'checksums': ['73f2e5a07ffe6ac6647a6f12cd2f67f0d8f717329f150ddf08ef73cba0858d26'],
     }),
 ]

Updated software `scvi-tools-1.4.1-foss-2024a-CUDA-12.6.0.eb`

Diff against scvi-tools-1.4.1-foss-2024a.eb

easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.4.1-foss-2024a.eb

diff --git a/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.4.1-foss-2024a.eb b/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.4.1-foss-2024a-CUDA-12.6.0.eb
index 6d67dacb3d..03ffd1e3e3 100644
--- a/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.4.1-foss-2024a.eb
+++ b/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.4.1-foss-2024a-CUDA-12.6.0.eb
@@ -2,6 +2,7 @@ easyblock = 'PythonBundle'
 
 name = 'scvi-tools'
 version = '1.4.1'
+versionsuffix = '-CUDA-%(cudaver)s'
 
 homepage = 'https://github.com/scverse/scvi-tools'
 description = """scvi-tools (single-cell variational inference tools) is a package for probabilistic modeling and
@@ -12,20 +13,21 @@ toolchain = {'name': 'foss', 'version': '2024a'}
 builddependencies = [
     ('hatchling', '1.27.0'),
     ('coverage', '7.9.2'),
-    ('captum', '0.8.0'),
+    ('captum', '0.8.0', versionsuffix),
 ]
 dependencies = [
+    ('CUDA', '12.6.0', '', SYSTEM),
     ('Python', '3.12.3'),
     ('SciPy-bundle', '2024.05'),
-    ('PyTorch', '2.6.0'),
-    ('PyTorch-Lightning', '2.5.2'),
-    ('Lightning', '2.5.2'),
+    ('PyTorch', '2.7.1', versionsuffix),
+    ('PyTorch-Lightning', '2.5.6', versionsuffix),
+    ('Lightning', '2.5.6', versionsuffix),
     ('anndata', '0.11.4'),
     ('matplotlib', '3.9.2'),
     ('scikit-learn', '1.5.2'),
     ('tqdm', '4.66.5'),
     ('h5py', '3.12.1'),
-    ('pyro-ppl', '1.9.1'),
+    ('pyro-ppl', '1.9.1', versionsuffix),
     ('ml-collections', '1.1.0'),
     ('numba', '0.60.0'),
     ('scanpy', '1.10.4'),

Diff against scvi-tools-1.1.2-foss-2023a-CUDA-12.1.1.eb

easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.1.2-foss-2023a-CUDA-12.1.1.eb

diff --git a/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.1.2-foss-2023a-CUDA-12.1.1.eb b/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.4.1-foss-2024a-CUDA-12.6.0.eb
index b6c1149fbc..03ffd1e3e3 100644
--- a/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.1.2-foss-2023a-CUDA-12.1.1.eb
+++ b/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.4.1-foss-2024a-CUDA-12.6.0.eb
@@ -1,52 +1,78 @@
 easyblock = 'PythonBundle'
 
 name = 'scvi-tools'
-version = '1.1.2'
+version = '1.4.1'
 versionsuffix = '-CUDA-%(cudaver)s'
 
 homepage = 'https://github.com/scverse/scvi-tools'
 description = """scvi-tools (single-cell variational inference tools) is a package for probabilistic modeling and
 analysis of single-cell omics data, built on top of PyTorch and AnnData."""
 
-toolchain = {'name': 'foss', 'version': '2023a'}
+toolchain = {'name': 'foss', 'version': '2024a'}
 
-builddependencies = [('hatchling', '1.18.0')]
+builddependencies = [
+    ('hatchling', '1.27.0'),
+    ('coverage', '7.9.2'),
+    ('captum', '0.8.0', versionsuffix),
+]
 dependencies = [
-    ('CUDA', '12.1.1', '', SYSTEM),
-    ('Python', '3.11.3'),
-    ('SciPy-bundle', '2023.07'),
-    ('anndata', '0.10.5.post1'),
-    ('matplotlib', '3.7.2'),
-    ('scikit-learn', '1.3.1'),
-    ('tqdm', '4.66.1'),
-    ('h5py', '3.9.0'),
-    ('jax', '0.4.25', versionsuffix),
-    ('Flax', '0.8.4', versionsuffix),
-    ('PyTorch-Lightning', '2.2.1', versionsuffix),
-    ('pyro-ppl', '1.9.0', versionsuffix),
-    ('ml-collections', '0.1.1'),
+    ('CUDA', '12.6.0', '', SYSTEM),
+    ('Python', '3.12.3'),
+    ('SciPy-bundle', '2024.05'),
+    ('PyTorch', '2.7.1', versionsuffix),
+    ('PyTorch-Lightning', '2.5.6', versionsuffix),
+    ('Lightning', '2.5.6', versionsuffix),
+    ('anndata', '0.11.4'),
+    ('matplotlib', '3.9.2'),
+    ('scikit-learn', '1.5.2'),
+    ('tqdm', '4.66.5'),
+    ('h5py', '3.12.1'),
+    ('pyro-ppl', '1.9.1', versionsuffix),
+    ('ml-collections', '1.1.0'),
+    ('numba', '0.60.0'),
+    ('scanpy', '1.10.4'),
+    ('tensorboard', '2.18.0'),
+    ('xarray', '2024.11.0'),
 ]
 
+# avoid srun problem
+# https://github.com/easybuilders/easybuild-easyconfigs/pull/25021#issuecomment-3744728157
+local_test_command = 'export SLURM_NTASKS_PER_NODE=$SLURM_NTASKS && '
+local_test_command += 'pytest -vs tests '
+# skip tests required optional dependencies
+local_test_command += (
+    '--ignore=tests/external/mrvi_jax '
+    '--ignore=tests/external/tangram '
+    '--ignore=tests/model/test_jaxscvi.py '
+    '--ignore=tests/hub '
+    '--ignore=tests/criticism '
+    '--ignore=tests/external/cytovi '
+    '--deselect=tests/data/test_anndata.py::test_anntorchdataset_dask '
+    '--deselect tests/model/test_multivi.py::test_multivi_mudata_rna_atac '
+)
+
 exts_list = [
-    ('mudata', '0.2.3', {
-        'checksums': ['45288ac150bfc598d68acb7c2c1c43c38c5c39522107e04f7efbf3360c7f2035'],
+    ('packaging', '25.0', {
+        'checksums': ['d443872c98d677bf60f6a1f2f8c1cb748e8fe762d2bf9d3148b5599295b0fc4f'],
     }),
-    ('multipledispatch', '1.0.0', {
-        'checksums': ['5c839915465c68206c3e9c473357908216c28383b425361e5d144594bf85a7e0'],
+    ('pytest_pretty', '1.3.0', {
+        'checksums': ['97e9921be40f003e40ae78db078d4a0c1ea42bf73418097b5077970c2cc43bf3'],
     }),
-    ('numpyro', '0.15.0', {
-        'checksums': ['e16c9f47cc31e2aa259584a0b6c944312081d33ca92406022632ad584b0e600d'],
+    ('mudata', '0.3.2', {
+        'checksums': ['c9b24f2429f369512f38e48599e341e7684abcf769df277e473700d4f1212740'],
+    }),
+    ('sparse', '0.17.0', {
+        'checksums': ['6b1ad51a810c5be40b6f95e28513ec810fe1c785923bd83b2e4839a751df4bf7'],
     }),
     ('docrep', '0.3.2', {
         'checksums': ['ed8a17e201abd829ef8da78a0b6f4d51fb99a4cbd0554adbed3309297f964314'],
     }),
-    ('lightning', '2.1.4', {
-        'checksums': ['0e45098c700fa28c604a11ae233ce181b44aeffce2404debebc2616118431d9f'],
-    }),
     (name, version, {
         'modulename': 'scvi',
+        'runtest': local_test_command,
         'sources': ['scvi_tools-%(version)s.tar.gz'],
-        'checksums': ['104a11a30e8996f5ceaa907b8c81b48b1f4b380d492ef2dd9b9a5577ed81b0f9'],
+        'testinstall': True,
+        'checksums': ['ee75eaac665618b9ee6fa466f6353ef68eb33cd3d7e2c77069e743471ca2103a'],
     }),
 ]

Diff against scvi-tools-1.1.2-foss-2023a.eb

easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.1.2-foss-2023a.eb

diff --git a/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.1.2-foss-2023a.eb b/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.4.1-foss-2024a-CUDA-12.6.0.eb
index f518b60b00..03ffd1e3e3 100644
--- a/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.1.2-foss-2023a.eb
+++ b/easybuild/easyconfigs/s/scvi-tools/scvi-tools-1.4.1-foss-2024a-CUDA-12.6.0.eb
@@ -1,50 +1,78 @@
 easyblock = 'PythonBundle'
 
 name = 'scvi-tools'
-version = '1.1.2'
+version = '1.4.1'
+versionsuffix = '-CUDA-%(cudaver)s'
 
 homepage = 'https://github.com/scverse/scvi-tools'
 description = """scvi-tools (single-cell variational inference tools) is a package for probabilistic modeling and
 analysis of single-cell omics data, built on top of PyTorch and AnnData."""
 
-toolchain = {'name': 'foss', 'version': '2023a'}
+toolchain = {'name': 'foss', 'version': '2024a'}
 
-builddependencies = [('hatchling', '1.18.0')]
+builddependencies = [
+    ('hatchling', '1.27.0'),
+    ('coverage', '7.9.2'),
+    ('captum', '0.8.0', versionsuffix),
+]
 dependencies = [
-    ('Python', '3.11.3'),
-    ('SciPy-bundle', '2023.07'),
-    ('anndata', '0.10.5.post1'),
-    ('matplotlib', '3.7.2'),
-    ('scikit-learn', '1.3.1'),
-    ('tqdm', '4.66.1'),
-    ('jax', '0.4.25'),
-    ('h5py', '3.9.0'),
-    ('PyTorch-Lightning', '2.2.1'),
-    ('pyro-ppl', '1.9.0'),
-    ('ml-collections', '0.1.1'),
-    ('Flax', '0.8.4'),
+    ('CUDA', '12.6.0', '', SYSTEM),
+    ('Python', '3.12.3'),
+    ('SciPy-bundle', '2024.05'),
+    ('PyTorch', '2.7.1', versionsuffix),
+    ('PyTorch-Lightning', '2.5.6', versionsuffix),
+    ('Lightning', '2.5.6', versionsuffix),
+    ('anndata', '0.11.4'),
+    ('matplotlib', '3.9.2'),
+    ('scikit-learn', '1.5.2'),
+    ('tqdm', '4.66.5'),
+    ('h5py', '3.12.1'),
+    ('pyro-ppl', '1.9.1', versionsuffix),
+    ('ml-collections', '1.1.0'),
+    ('numba', '0.60.0'),
+    ('scanpy', '1.10.4'),
+    ('tensorboard', '2.18.0'),
+    ('xarray', '2024.11.0'),
 ]
 
+# avoid srun problem
+# https://github.com/easybuilders/easybuild-easyconfigs/pull/25021#issuecomment-3744728157
+local_test_command = 'export SLURM_NTASKS_PER_NODE=$SLURM_NTASKS && '
+local_test_command += 'pytest -vs tests '
+# skip tests required optional dependencies
+local_test_command += (
+    '--ignore=tests/external/mrvi_jax '
+    '--ignore=tests/external/tangram '
+    '--ignore=tests/model/test_jaxscvi.py '
+    '--ignore=tests/hub '
+    '--ignore=tests/criticism '
+    '--ignore=tests/external/cytovi '
+    '--deselect=tests/data/test_anndata.py::test_anntorchdataset_dask '
+    '--deselect tests/model/test_multivi.py::test_multivi_mudata_rna_atac '
+)
+
 exts_list = [
-    ('mudata', '0.2.3', {
-        'checksums': ['45288ac150bfc598d68acb7c2c1c43c38c5c39522107e04f7efbf3360c7f2035'],
+    ('packaging', '25.0', {
+        'checksums': ['d443872c98d677bf60f6a1f2f8c1cb748e8fe762d2bf9d3148b5599295b0fc4f'],
     }),
-    ('multipledispatch', '1.0.0', {
-        'checksums': ['5c839915465c68206c3e9c473357908216c28383b425361e5d144594bf85a7e0'],
+    ('pytest_pretty', '1.3.0', {
+        'checksums': ['97e9921be40f003e40ae78db078d4a0c1ea42bf73418097b5077970c2cc43bf3'],
     }),
-    ('numpyro', '0.15.0', {
-        'checksums': ['e16c9f47cc31e2aa259584a0b6c944312081d33ca92406022632ad584b0e600d'],
+    ('mudata', '0.3.2', {
+        'checksums': ['c9b24f2429f369512f38e48599e341e7684abcf769df277e473700d4f1212740'],
+    }),
+    ('sparse', '0.17.0', {
+        'checksums': ['6b1ad51a810c5be40b6f95e28513ec810fe1c785923bd83b2e4839a751df4bf7'],
     }),
     ('docrep', '0.3.2', {
         'checksums': ['ed8a17e201abd829ef8da78a0b6f4d51fb99a4cbd0554adbed3309297f964314'],
     }),
-    ('lightning', '2.1.4', {
-        'checksums': ['0e45098c700fa28c604a11ae233ce181b44aeffce2404debebc2616118431d9f'],
-    }),
     (name, version, {
         'modulename': 'scvi',
+        'runtest': local_test_command,
         'sources': ['scvi_tools-%(version)s.tar.gz'],
-        'checksums': ['104a11a30e8996f5ceaa907b8c81b48b1f4b380d492ef2dd9b9a5577ed81b0f9'],
+        'testinstall': True,
+        'checksums': ['ee75eaac665618b9ee6fa466f6353ef68eb33cd3d7e2c77069e743471ca2103a'],
     }),
 ]

…A-12.6.0.eb

pavelToman · 2026-01-08T14:56:40Z

Test report by @pavelToman
SUCCESS
Build succeeded for 3 out of 3 (total: 19 mins 58 secs) (2 easyconfigs in total)
node3304.joltik.os - Linux RHEL 9.6, x86_64, Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz, 1 x NVIDIA Tesla V100-SXM2-32GB, 580.95.05, Python 3.9.21
See https://gist.github.com/pavelToman/98594202d9a45f8293a4d1914662ebd4 for a full test report.

pavelToman · 2026-01-08T15:05:43Z

Test report by @pavelToman
SUCCESS
Build succeeded for 2 out of 2 (total: 19 mins 24 secs) (2 easyconfigs in total)
node4015.donphan.os - Linux RHEL 9.6, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz, 1 x NVIDIA NVIDIA A2, 580.95.05, Python 3.9.21
See https://gist.github.com/pavelToman/29b63ba3e2201c9e02a9536970a323c6 for a full test report.

pavelToman · 2026-01-08T15:06:23Z

Test report by @pavelToman
SUCCESS
Build succeeded for 3 out of 3 (total: 16 mins 44 secs) (2 easyconfigs in total)
node4307.litleo.os - Linux RHEL 9.6, x86_64, AMD EPYC 9454P 48-Core Processor, 1 x NVIDIA NVIDIA H100 NVL, 580.95.05, Python 3.9.21
See https://gist.github.com/pavelToman/4f8d60494aecebab12067dd4e94d3a90 for a full test report.

pavelToman · 2026-01-08T16:02:11Z

Test report by @pavelToman
SUCCESS
Build succeeded for 2 out of 2 (total: 15 mins 41 secs) (2 easyconfigs in total)
node3902.accelgor.os - Linux RHEL 9.6, x86_64, AMD EPYC 7413 24-Core Processor, 1 x NVIDIA NVIDIA A100-SXM4-80GB, 580.95.05, Python 3.9.21
See https://gist.github.com/pavelToman/a4b61bcb9a1bf7593dc17ef1285e3346 for a full test report.

…ools141

pavelToman · 2026-02-12T13:09:45Z

Test report by @pavelToman
SUCCESS
Build succeeded for 2 out of 2 (total: 10 mins 32 secs) (2 easyconfigs in total)
node4307.litleo.os - Linux RHEL 9.6, x86_64, AMD EPYC 9454P 48-Core Processor, 1 x NVIDIA NVIDIA H100 NVL, 580.95.05, Python 3.9.21
See https://gist.github.com/pavelToman/ff54c5edec9d364906d1c8ba7bbfd120 for a full test report.

pavelToman · 2026-02-12T13:10:34Z

Test report by @pavelToman
SUCCESS
Build succeeded for 2 out of 2 (total: 11 mins 17 secs) (2 easyconfigs in total)
node3904.accelgor.os - Linux RHEL 9.6, x86_64, AMD EPYC 7413 24-Core Processor, 1 x NVIDIA NVIDIA A100-SXM4-80GB, 590.48.01, Python 3.9.21
See https://gist.github.com/pavelToman/627535d8e51786ae690423976987acbc for a full test report.

pavelToman · 2026-02-12T13:12:17Z

Test report by @pavelToman
SUCCESS
Build succeeded for 2 out of 2 (total: 12 mins 39 secs) (2 easyconfigs in total)
node3303.joltik.os - Linux RHEL 9.6, x86_64, Intel(R) Xeon(R) Gold 6242 CPU @ 2.80GHz, 1 x NVIDIA Tesla V100-SXM2-32GB, 580.95.05, Python 3.9.21
See https://gist.github.com/pavelToman/260a99c3fedcdf21713a5aaade4ab9f3 for a full test report.

…asyconfigs into 20260108150318_new_pr_scvi-tools141

pavelToman · 2026-02-12T16:44:10Z

Do not test on jsc-zen3 - missing/failing PyTorch

boegel · 2026-02-12T16:58:53Z

Do not test on jsc-zen3 - missing/failing PyTorch

PyTorch 2.7.1 with CUDA 12.6.0 should be back tomorrow on jsc-zen3, see easybuilders/easybuild-easyblocks#4052 (comment)

boegel · 2026-02-13T14:44:41Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (total: 10 mins 22 secs) (2 easyconfigs in total)
node3902.accelgor.os - Linux RHEL 9.6, x86_64, AMD EPYC 7413 24-Core Processor (zen3), 1 x NVIDIA NVIDIA A100-SXM4-80GB, 590.48.01, Python 3.9.21
See https://gist.github.com/boegel/e6d201f68340ca8635449d9a1a64fe8d for a full test report.

boegel · 2026-02-14T09:29:03Z

@boegelbot please test @ jsc-zen3-a100
CORE_CNT=16

boegelbot · 2026-02-14T09:30:08Z

@boegel: 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=25022 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_25022 --ntasks="16" --partition=jsczen3g --gres=gpu:1 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 9667

Test results coming soon (I hope)...

Details

- notification for comment with ID 3901565702 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 · 2026-02-14T10:21:03Z

Test report by @boegelbot
SUCCESS
Build succeeded for 6 out of 6 (total: 24 mins 11 secs) (2 easyconfigs in total)
jsczen3g1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.7, x86_64, AMD EPYC-Milan Processor (zen3), 1 x NVIDIA NVIDIA A100 80GB PCIe, 590.44.01, Python 3.9.23
See https://gist.github.com/boegelbot/a3c0d144a3ee8d7cdbacc8f3c09dd9b3 for a full test report.

boegel

lgtm

boegel · 2026-02-15T09:01:08Z

Going in, thanks @pavelToman!

adding easyconfigs: scvi-tools-1.4.1-foss-2024a-CUDA-12.6.0.eb, pyro-…

74e009a

…ppl-1.9.1-foss-2024a-CUDA-12.6.0.eb, captum-0.8.0-foss-2024a-CUDA-12.6.0.eb

pavelToman added the update label Jan 8, 2026

pavelToman mentioned this pull request Jan 8, 2026

scvi-tools vscentrum/vsc-software-stack#625

Closed

github-actions Bot added the 2024a issues & PRs related to 2024a common toolchains label Jan 8, 2026

Delete easybuild/easyconfigs/p/pyro-ppl/pyro-ppl-1.9.1-foss-2024a-CUD…

9dd80f9

…A-12.6.0.eb

fix srun in tests

a385db0

pavelToman changed the title ~~{ai,bio,tools}[foss/2024a] scvi-tools v1.4.1, pyro-ppl v1.9.1, captum v0.8.0 w/ CUDA 12.6.0~~ {ai,bio,tools}[foss/2024a] scvi-tools v1.4.1, captum v0.8.0 w/ CUDA 12.6.0 Jan 27, 2026

pavelToman changed the title ~~{ai,bio,tools}[foss/2024a] scvi-tools v1.4.1, captum v0.8.0 w/ CUDA 12.6.0~~ {ai,bio}[foss/2024a] scvi-tools v1.4.1, captum v0.8.0 w/ CUDA 12.6.0 Jan 27, 2026

Merge branch 'easybuilders:develop' into 20260108150318_new_pr_scvi-t…

b25774a

…ools141

pavelToman mentioned this pull request Feb 12, 2026

{ai}[foss/2024a] Lightning v2.5.6, PyTorch-Lightning v2.5.6, bitsandbytes v0.46.1 w/ CUDA 12.6.0 #25262

Merged

Merge branch 'develop' of https://github.com/easybuilders/easybuild-e…

5777680

…asyconfigs into 20260108150318_new_pr_scvi-tools141

boegel added this to the next release (5.2.1) milestone Feb 12, 2026

boegel approved these changes Feb 15, 2026

View reviewed changes

boegel merged commit 17bbc08 into easybuilders:develop Feb 15, 2026
8 checks passed

JarneRenders mentioned this pull request Feb 16, 2026

{ai}[foss/2024a] captum v0.8.0 w/ CUDA 12.6.0 #24472

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Updated software captum-0.8.0-foss-2024a-CUDA-12.6.0.eb

Updated software scvi-tools-1.4.1-foss-2024a-CUDA-12.6.0.eb

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Updated software `captum-0.8.0-foss-2024a-CUDA-12.6.0.eb`

Updated software `scvi-tools-1.4.1-foss-2024a-CUDA-12.6.0.eb`