{toolchain}[lfoss/2025b] Add files for `lfoss` toolchain 2025b by Crivella · Pull Request #24514 · easybuilders/easybuild-easyconfigs

Crivella · 2025-11-10T16:49:16Z

Requires (possibly some overlap also):

Implementing a new LLVM based toolchain easybuild-framework#4914
enhance custom easyblock for ELPA, OpenMPI, QuantumESPRESSO to work with LLVM-based toolchain easybuild-easyblocks#3759
{toolchain}[system/system] lompi v2025b, lmpich v2025b, llvm-compilers v20.1.8 #24481
{lang,toolchain}[lfbf/2025b,system/system] lfbf v2025b, SciPy-bundle v2025.07 #24482

github-actions · 2025-11-10T16:49:57Z

Updated software `FFTW.MPI-3.3.10-lompi-2025b.eb`

Diff against FFTW.MPI-3.3.10-gompi-2025b.eb

easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2025b.eb

diff --git a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2025b.eb b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-lompi-2025b.eb
index 9a870dfab0..26a2b8a664 100644
--- a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2025b.eb
+++ b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-lompi-2025b.eb
@@ -5,7 +5,7 @@ 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': 'gompi', 'version': '2025b'}
+toolchain = {'name': 'lompi', 'version': '2025b'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]

Diff against FFTW.MPI-3.3.10-gompi-2025a.eb

easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2025a.eb

diff --git a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2025a.eb b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-lompi-2025b.eb
index 2e37427de1..26a2b8a664 100644
--- a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-gompi-2025a.eb
+++ b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-lompi-2025b.eb
@@ -5,7 +5,7 @@ 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': 'gompi', 'version': '2025a'}
+toolchain = {'name': 'lompi', 'version': '2025b'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]

Diff against FFTW.MPI-3.3.10-iimpi-2023a.eb

easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-iimpi-2023a.eb

diff --git a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-iimpi-2023a.eb b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-lompi-2025b.eb
index edd9aa0119..26a2b8a664 100644
--- a/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-iimpi-2023a.eb
+++ b/easybuild/easyconfigs/f/FFTW.MPI/FFTW.MPI-3.3.10-lompi-2025b.eb
@@ -5,7 +5,7 @@ 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': 'iimpi', 'version': '2023a'}
+toolchain = {'name': 'lompi', 'version': '2025b'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]

Updated software `ScaLAPACK-2.2.2-lompi-2025b-fb.eb`

Diff against ScaLAPACK-2.2.2-gompi-2025b-fb.eb

easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-gompi-2025b-fb.eb

diff --git a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-gompi-2025b-fb.eb b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-lompi-2025b-fb.eb
index 2cb2c28610..0e6e5ec809 100644
--- a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-gompi-2025b-fb.eb
+++ b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-lompi-2025b-fb.eb
@@ -6,8 +6,11 @@ homepage = 'https://www.netlib.org/scalapack/'
 description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
  redesigned for distributed memory MIMD parallel computers."""
 
-toolchain = {'name': 'gompi', 'version': '2025b'}
-toolchainopts = {'extra_fflags': '-lpthread', 'openmp': True, 'pic': True, 'usempi': True}
+toolchain = {'name': 'lompi', 'version': '2025b'}
+toolchainopts = {
+    'extra_cflags': '-std=c89',  # See https://github.com/Reference-ScaLAPACK/scalapack/issues/31
+    'extra_fflags': '-lpthread', 'openmp': True, 'pic': True, 'usempi': True
+}
 
 source_urls = ['https://github.com/Reference-ScaLAPACK/scalapack/archive/refs/tags/']
 sources = ['v%(version)s.tar.gz']
@@ -21,9 +24,8 @@ dependencies = [
     ('FlexiBLAS', '3.4.5'),
 ]
 
-preconfigopts = 'export CFLAGS="$CFLAGS -std=gnu89" &&'  # https://bugzilla.redhat.com/show_bug.cgi?id=2178710
 # Other CMakeLists.txt in ScaLAPACK 2.2.2 are CMake 3.5+
-preconfigopts += 'sed -i "s/VERSION 2.8/VERSION 3.5/" %(start_dir)s/BLACS/INSTALL/CMakeLists.txt && '
+preconfigopts = 'sed -i "s/VERSION 2.8/VERSION 3.5/" %(start_dir)s/BLACS/INSTALL/CMakeLists.txt && '
 
 # Config Opts based on AOCL User Guide:
 # https://developer.amd.com/wp-content/resources/AOCL_User%20Guide_2.2.pdf

Diff against ScaLAPACK-2.2.2-gompi-2025a-fb.eb

easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-gompi-2025a-fb.eb

diff --git a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-gompi-2025a-fb.eb b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-lompi-2025b-fb.eb
index ede0be1c68..0e6e5ec809 100644
--- a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-gompi-2025a-fb.eb
+++ b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-lompi-2025b-fb.eb
@@ -6,22 +6,26 @@ homepage = 'https://www.netlib.org/scalapack/'
 description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
  redesigned for distributed memory MIMD parallel computers."""
 
-toolchain = {'name': 'gompi', 'version': '2025a'}
-toolchainopts = {'extra_fflags': '-lpthread', 'openmp': True, 'pic': True, 'usempi': True}
+toolchain = {'name': 'lompi', 'version': '2025b'}
+toolchainopts = {
+    'extra_cflags': '-std=c89',  # See https://github.com/Reference-ScaLAPACK/scalapack/issues/31
+    'extra_fflags': '-lpthread', 'openmp': True, 'pic': True, 'usempi': True
+}
 
 source_urls = ['https://github.com/Reference-ScaLAPACK/scalapack/archive/refs/tags/']
 sources = ['v%(version)s.tar.gz']
 checksums = ['a2f0c9180a210bf7ffe126c9cb81099cf337da1a7120ddb4cbe4894eb7b7d022']
 
 builddependencies = [
-    ('CMake', '3.31.3'),
+    ('CMake', '4.0.3'),
 ]
 
 dependencies = [
     ('FlexiBLAS', '3.4.5'),
 ]
 
-preconfigopts = 'export CFLAGS="$CFLAGS -std=gnu89" &&'  # https://bugzilla.redhat.com/show_bug.cgi?id=2178710
+# Other CMakeLists.txt in ScaLAPACK 2.2.2 are CMake 3.5+
+preconfigopts = 'sed -i "s/VERSION 2.8/VERSION 3.5/" %(start_dir)s/BLACS/INSTALL/CMakeLists.txt && '
 
 # Config Opts based on AOCL User Guide:
 # https://developer.amd.com/wp-content/resources/AOCL_User%20Guide_2.2.pdf

Diff against ScaLAPACK-2.2.0-gompi-2024a-fb.eb

easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gompi-2024a-fb.eb

diff --git a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gompi-2024a-fb.eb b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-lompi-2025b-fb.eb
index 1bccc16f38..0e6e5ec809 100644
--- a/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.0-gompi-2024a-fb.eb
+++ b/easybuild/easyconfigs/s/ScaLAPACK/ScaLAPACK-2.2.2-lompi-2025b-fb.eb
@@ -1,30 +1,32 @@
 name = 'ScaLAPACK'
-version = '2.2.0'
+version = '2.2.2'
 versionsuffix = '-fb'
 
 homepage = 'https://www.netlib.org/scalapack/'
 description = """The ScaLAPACK (or Scalable LAPACK) library includes a subset of LAPACK routines
  redesigned for distributed memory MIMD parallel computers."""
 
-toolchain = {'name': 'gompi', 'version': '2024a'}
-toolchainopts = {'extra_fflags': '-lpthread', 'openmp': True, 'pic': True, 'usempi': True}
+toolchain = {'name': 'lompi', 'version': '2025b'}
+toolchainopts = {
+    'extra_cflags': '-std=c89',  # See https://github.com/Reference-ScaLAPACK/scalapack/issues/31
+    'extra_fflags': '-lpthread', 'openmp': True, 'pic': True, 'usempi': True
+}
 
-source_urls = [homepage]
-sources = [SOURCELOWER_TGZ]
-patches = ['ScaLAPACK-%(version)s_fix-GCC-10.patch']
-checksums = [
-    '40b9406c20735a9a3009d863318cb8d3e496fb073d201c5463df810e01ab2a57',  # scalapack-2.2.0.tgz
-    'f6bc3c6dee012ba4a696548a2e12b6aae932ce4fd5a142153b338839f52b5906',  # ScaLAPACK-2.2.0_fix-GCC-10.patch
-]
+source_urls = ['https://github.com/Reference-ScaLAPACK/scalapack/archive/refs/tags/']
+sources = ['v%(version)s.tar.gz']
+checksums = ['a2f0c9180a210bf7ffe126c9cb81099cf337da1a7120ddb4cbe4894eb7b7d022']
 
 builddependencies = [
-    ('CMake', '3.29.3'),
+    ('CMake', '4.0.3'),
 ]
 
 dependencies = [
-    ('FlexiBLAS', '3.4.4'),
+    ('FlexiBLAS', '3.4.5'),
 ]
 
+# Other CMakeLists.txt in ScaLAPACK 2.2.2 are CMake 3.5+
+preconfigopts = 'sed -i "s/VERSION 2.8/VERSION 3.5/" %(start_dir)s/BLACS/INSTALL/CMakeLists.txt && '
+
 # Config Opts based on AOCL User Guide:
 # https://developer.amd.com/wp-content/resources/AOCL_User%20Guide_2.2.pdf

Thyre · 2025-11-12T12:05:02Z

Test report by @Thyre
SUCCESS
Build succeeded for 4 out of 4 (total: 26 mins 39 secs) (4 easyconfigs in total)
datenlager - Linux Ubuntu 24.04, x86_64, AMD Ryzen 7 3700X 8-Core Processor, Python 3.12.3
See https://gist.github.com/Thyre/1fdfc46507d8450ec15d264a91bf686a for a full test report.

Thyre · 2025-11-12T12:21:46Z

Test report by @Thyre
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3759
SUCCESS
Build succeeded for 4 out of 4 (total: 26 mins 26 secs) (4 easyconfigs in total)
ZAM054 - Linux Zorin OS 18, x86_64, 12th Gen Intel(R) Core(TM) i7-1260P (skylake), 1 x NVIDIA NVIDIA GeForce MX550, 580.95.05, Python 3.12.3
See https://gist.github.com/Thyre/5793a16b2b57dee3361dfcc3e4a25a62 for a full test report.

Thyre · 2025-11-14T08:32:39Z

Test report by @Thyre
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3759
SUCCESS
Build succeeded for 4 out of 4 (total: 47 mins 1 secs) (4 easyconfigs in total)
Framework - Linux Fedora Linux 43, x86_64, AMD Ryzen AI 7 350 w/ Radeon 860M (zen5), 1 x AMD Krackan [Radeon 840M / 860M Graphics] (device id: 0x1114, gfx: gfx1152, driver: Linuxversion6.17.7-300.fc43.x86_64(mockbuild@d49b948bbfce45ee82827ac76e852536)(gcc(GCC)15.2.120251022(RedHat15.2.1-3),GNUldversion2.45-1.fc43)#1SMPPREEMPT_DYNAMICSunNov215:30:09UTC2025), Python 3.14.0
See https://gist.github.com/Thyre/d75de20a31bf41c72814c297688ecb52 for a full test report.

boegel · 2025-11-23T11:43:27Z

Test report by @boegel
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3759
SUCCESS
Build succeeded for 4 out of 4 (total: 31 mins 19 secs) (4 easyconfigs in total)
aarch64-neoverse-v1-node1.int.aws-rocky88-202310.eessi.io - Linux Rocky Linux 8.10, AArch64, ARM UNKNOWN (neoverse_v1), Python 3.6.8
See https://gist.github.com/boegel/c2fe4170f62792a47fea282eea84d3c6 for a full test report.

Thyre · 2025-11-23T13:14:49Z

Test report by @Thyre
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3759
SUCCESS
Build succeeded for 4 out of 4 (total: 15 mins 13 secs) (4 easyconfigs in total)
Linux - Linux Arch Linux UNKNOWN, x86_64, AMD Ryzen 7 7800X3D 8-Core Processor (zen4), 1 x AMD Navi 48 [Radeon RX 9070/9070 XT/9070 GRE] (device id: 0x7550, gfx: gfx1201, driver: Linuxversion6.17.8-arch1-1(linux@archlinux)(gcc(GCC)15.2.120251112,GNUld(GNUBinutils)2.45.1)#1SMPPREEMPT_DYNAMICFri,14Nov202506:54:20+0000), 1 x AMD Raphael (device id: 0x164e, gfx: gfx1036, driver: Linuxversion6.17.8-arch1-1(linux@archlinux)(gcc(GCC)15.2.120251112,GNUld(GNUBinutils)2.45.1)#1SMPPREEMPT_DYNAMICFri,14Nov202506:54:20+0000), Python 3.13.7
See https://gist.github.com/Thyre/3908ab69850dae2ca1d685607ecec07c for a full test report.

Thyre · 2025-11-23T13:47:44Z

Test report by @Thyre
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3759
SUCCESS
Build succeeded for 4 out of 4 (total: 31 mins 9 secs) (4 easyconfigs in total)
jrc0900.jureca - Linux Rocky Linux 9.6, AArch64, ARM UNKNOWN (neoverse_v2), 1 x NVIDIA NVIDIA GH200 480GB, 580.95.05, Python 3.9.21
See https://gist.github.com/Thyre/29987cf6f949a2430a2fbad905b675b0 for a full test report.

boegel · 2025-11-23T14:29:30Z

Test report by @boegel
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3759
SUCCESS
Build succeeded for 4 out of 4 (total: 1 hour 8 mins 13 secs) (4 easyconfigs in total)
node4226.shinx.os - Linux RHEL 9.6, x86_64, AMD EPYC 9654 96-Core Processor (zen4), Python 3.9.21
See https://gist.github.com/boegel/c550d93b5ec90838da8515fbe2f19c68 for a full test report.

Crivella · 2025-11-26T18:04:22Z

Tested with FW PR at easybuilders/easybuild-framework@232ef0b

Test report by @Crivella
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3759
SUCCESS
Build succeeded for 4 out of 4 (total: 31 mins 31 secs) (4 easyconfigs in total)
crivella-desktop - Linux Ubuntu 22.04.5 LTS (Jammy Jellyfish), x86_64, 13th Gen Intel(R) Core(TM) i9-13900K (skylake), Python 3.11.14
See https://gist.github.com/Crivella/2067568ce687364a778b21b53737afe4 for a full test report.

Crivella · 2025-11-26T19:59:38Z

NOTE Only tested ECs from #24516

Test report by @Crivella
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3759
SUCCESS
Build succeeded for 4 out of 4 (total: 1 hour 50 mins 20 secs) (4 easyconfigs in total)
crivella-desktop - Linux Ubuntu 22.04.5 LTS (Jammy Jellyfish), x86_64, 13th Gen Intel(R) Core(TM) i9-13900K (skylake), Python 3.11.14
See https://gist.github.com/Crivella/e40f8c0956fde18d2c87cf0723366fd9 for a full test report.

boegel · 2025-11-30T11:51:34Z

Test report by @boegel
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3579
SUCCESS
Build succeeded for 4 out of 4 (total: 1 hour 5 mins 11 secs) (4 easyconfigs in total)
node4213.shinx.os - Linux RHEL 9.6, x86_64, AMD EPYC 9654 96-Core Processor (zen4), Python 3.9.21
See https://gist.github.com/boegel/bef77b1f8d6606ce83cf65459f87620e for a full test report.

Thyre · 2025-11-30T13:45:33Z

Test report by @Thyre
Using easyblocks from PR(s) easybuilders/easybuild-easyblocks#3579, easybuilders/easybuild-easyblocks#3855, easybuilders/easybuild-easyblocks#3997
SUCCESS
Build succeeded for 4 out of 4 (total: 31 mins 34 secs) (4 easyconfigs in total)
jrc0900.jureca - Linux Rocky Linux 9.6, AArch64, ARM UNKNOWN (neoverse_v2), 1 x NVIDIA NVIDIA GH200 480GB, 580.95.05, Python 3.9.21
See https://gist.github.com/Thyre/7e6139e701ca365778a55e9488dbe00f for a full test report.

boegel · 2025-12-07T21:39:11Z

Test report by @boegel
SUCCESS
Build succeeded for 3 out of 3 (total: 38 mins 46 secs) (3 easyconfigs in total)
node4216.shinx.os - Linux RHEL 9.6, x86_64, AMD EPYC 9654 96-Core Processor (zen4), Python 3.9.21
See https://gist.github.com/boegel/88ece6b0838958e3912945df6fad0841 for a full test report.

boegel · 2025-12-07T21:39:47Z

Test report by @boegel
SUCCESS
Build succeeded for 3 out of 3 (total: 39 mins 27 secs) (3 easyconfigs in total)
node3551.doduo.os - Linux RHEL 9.6, x86_64, AMD EPYC 7552 48-Core Processor (zen2), Python 3.9.21
See https://gist.github.com/boegel/a23569b5005e65ae24420749765e3daf for a full test report.

boegel

lgtm

boegel · 2025-12-07T21:50:22Z

Going in, thanks @Crivella!

Add files for lfoss toolchain 2025b

996a7a7

github-actions Bot added new update labels Nov 10, 2025

Crivella mentioned this pull request Nov 10, 2025

{math,data,chem}[lfoss/2025b] QuantumESPRESSO 7.5, HDF5 1.14.6, libxc 7.0.0, ELPA 2025.06.001 #24516

Merged

Thyre mentioned this pull request Nov 10, 2025

{tools}[lfoss/2025b] GROMACS v2025.2, HPL v2.3, HPCG v3.1, ... #24517

Merged

5 tasks

Thyre added the 2025b issues & PRs related to 2025b common toolchains label Nov 10, 2025

This was referenced Nov 23, 2025

{numlib}[lmpich/2025b] FFTW.MPI v3.3.10, lmpflf v2025b, ScaLAPACK v2.2.2 w/ fb #24659

Merged

{tools}[lmpflf/2025b] HPCG v3.1, HPL v2.3, GROMACS v2025.2, ... #24660

Merged

boegel added this to the next release (5.2.0?) milestone Dec 6, 2025

Merge branch 'develop' into feature-lfoss-2025b

bc8b4aa

github-actions Bot removed the 2025b issues & PRs related to 2025b common toolchains label Dec 7, 2025

boegel approved these changes Dec 7, 2025

View reviewed changes

boegel merged commit 26ebf46 into easybuilders:develop Dec 7, 2025
8 checks passed

Crivella deleted the feature-lfoss-2025b branch December 8, 2025 08:57

Conversation

Crivella commented Nov 10, 2025

Uh oh!

github-actions Bot commented Nov 10, 2025 • edited Loading Uh oh! There was an error while loading. Please reload this page.

Uh oh!

Updated software FFTW.MPI-3.3.10-lompi-2025b.eb

Updated software ScaLAPACK-2.2.2-lompi-2025b-fb.eb

Uh oh!

Thyre commented Nov 12, 2025

Uh oh!

Thyre commented Nov 12, 2025

Uh oh!

Thyre commented Nov 14, 2025

Uh oh!

boegel commented Nov 23, 2025

Uh oh!

Thyre commented Nov 23, 2025

Uh oh!

Thyre commented Nov 23, 2025

Uh oh!

boegel commented Nov 23, 2025

Uh oh!

Crivella commented Nov 26, 2025 • edited Loading Uh oh! There was an error while loading. Please reload this page.

Uh oh!

Uh oh!

Crivella commented Nov 26, 2025 • edited Loading Uh oh! There was an error while loading. Please reload this page.

Uh oh!

Uh oh!

boegel commented Nov 30, 2025

Uh oh!

Thyre commented Nov 30, 2025

Uh oh!

boegel commented Dec 7, 2025

Uh oh!

boegel commented Dec 7, 2025

Uh oh!

boegel left a comment

Choose a reason for hiding this comment

Uh oh!

boegel commented Dec 7, 2025

Uh oh!

Uh oh!

Reviewers

Assignees

Labels

Projects

Milestone

Development

Uh oh!

3 participants

github-actions Bot commented Nov 10, 2025 •

edited

Loading

Updated software `FFTW.MPI-3.3.10-lompi-2025b.eb`

Updated software `ScaLAPACK-2.2.2-lompi-2025b-fb.eb`

Crivella commented Nov 26, 2025 •

edited

Loading

Crivella commented Nov 26, 2025 •

edited

Loading