{toolchain}[lfoss/2025b] Add files for `lfoss` toolchain 2025b #24514

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

Open

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

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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

{toolchain}[lfoss/2025b] Add files for lfoss toolchain 2025b #24514

{toolchain}[lfoss/2025b] Add files for lfoss toolchain 2025b #24514

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

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

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{toolchain}[lfoss/2025b] Add files for `lfoss` toolchain 2025b #24514

{toolchain}[lfoss/2025b] Add files for `lfoss` toolchain 2025b #24514

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

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

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