{numlib}[NVHPC/24.9-CUDA-12.6.0,nvompi/2024.9] FFTW v3.3.10

[sassy-crick]

(created using eb --new-pr)

[github-actions]

Updated software FFTW-3.3.10-NVHPC-24.9-CUDA-12.6.0.eb

Diff against FFTW-3.3.10-intel-compilers-2023.1.0.eb

easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-intel-compilers-2023.1.0.eb

diff --git a/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-intel-compilers-2023.1.0.eb b/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-NVHPC-24.9-CUDA-12.6.0.eb
index 79fb090b48..5ed8e1cac8 100644
--- a/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-intel-compilers-2023.1.0.eb
+++ b/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-NVHPC-24.9-CUDA-12.6.0.eb
@@ -5,22 +5,16 @@ homepage = 'https://www.fftw.org'
 description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
 in one or more dimensions, of arbitrary input size, and of both real and complex data."""
 
-toolchain = {'name': 'intel-compilers', 'version': '2023.1.0'}
+toolchain = {'name': 'NVHPC', 'version': '24.9-CUDA-12.6.0'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]
 sources = [SOURCELOWER_TAR_GZ]
 checksums = ['56c932549852cddcfafdab3820b0200c7742675be92179e59e6215b340e26467']
 
-# no quad precision, requires GCC v4.6 or higher
-# see also
-# https://www.fftw.org/doc/Extended-and-quadruple-precision-in-Fortran.html
+# Does not work with nvc
 with_quad_prec = False
 
-# compilation fails on AMD systems when configuring with --enable-avx-128-fma,
-# because Intel compilers do not support FMA4 instructions
-use_fma4 = False
-
 runtest = 'check'
 
 moduleclass = 'numlib'

Diff against FFTW-3.3.10-GCC-14.2.0.eb

easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-GCC-14.2.0.eb

diff --git a/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-GCC-14.2.0.eb b/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-NVHPC-24.9-CUDA-12.6.0.eb
index 6ea1d560d5..5ed8e1cac8 100644
--- a/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-GCC-14.2.0.eb
+++ b/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-NVHPC-24.9-CUDA-12.6.0.eb
@@ -5,13 +5,16 @@ homepage = 'https://www.fftw.org'
 description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
 in one or more dimensions, of arbitrary input size, and of both real and complex data."""
 
-toolchain = {'name': 'GCC', 'version': '14.2.0'}
+toolchain = {'name': 'NVHPC', 'version': '24.9-CUDA-12.6.0'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]
 sources = [SOURCELOWER_TAR_GZ]
 checksums = ['56c932549852cddcfafdab3820b0200c7742675be92179e59e6215b340e26467']
 
+# Does not work with nvc
+with_quad_prec = False
+
 runtest = 'check'
 
 moduleclass = 'numlib'

Diff against FFTW-3.3.10-GCC-13.3.0.eb

easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-GCC-13.3.0.eb

diff --git a/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-GCC-13.3.0.eb b/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-NVHPC-24.9-CUDA-12.6.0.eb
index bf18544e70..5ed8e1cac8 100644
--- a/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-GCC-13.3.0.eb
+++ b/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-NVHPC-24.9-CUDA-12.6.0.eb
@@ -5,13 +5,16 @@ homepage = 'https://www.fftw.org'
 description = """FFTW is a C subroutine library for computing the discrete Fourier transform (DFT)
 in one or more dimensions, of arbitrary input size, and of both real and complex data."""
 
-toolchain = {'name': 'GCC', 'version': '13.3.0'}
+toolchain = {'name': 'NVHPC', 'version': '24.9-CUDA-12.6.0'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]
 sources = [SOURCELOWER_TAR_GZ]
 checksums = ['56c932549852cddcfafdab3820b0200c7742675be92179e59e6215b340e26467']
 
+# Does not work with nvc
+with_quad_prec = False
+
 runtest = 'check'
 
 moduleclass = 'numlib'

[sassy-crick]

Test report for EasyBuild/5.0.0. can be found here

[sassy-crick]

@boegelbot please test @ jsc-zen3

[boegelbot]

@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=21634 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_21634 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 6176

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]

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 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/a997018f2b130fa218693d0d402b32fe for a full test report.

[sassy-crick]

@boegelbot please test @ jsc-zen3

[boegelbot]

@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=21634 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_21634 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

• exit code: 0
• output:

Submitted batch job 6971

Test results coming soon (I hope)...

Details

- notification for comment with ID 2997633456 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]

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 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/b3e4e66fecaf7ebcc6ee36eeb0c14e7f for a full test report.

[Thyre]

With the new NVHPC toolchain being introduced in EasyBuild v5.2.0, I'm not sure if we should promote the old NVHPC toolchains anymore, even if this is targeting an old toolchain generation...

[sassy-crick]

With the new NVHPC toolchain being introduced in EasyBuild v5.2.0, I'm not sure if we should promote the old NVHPC toolchains anymore, even if this is targeting an old toolchain generation...

Agreed. That PR stems from a time before we had converged on how to set up NVHPC, so I will close this one, and the other old ones I had open.