{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
Changes to Easyblocks needed to work with the new LLVM 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 `FFTW-3.3.10-llvm-compilers-20.1.8.eb`

Diff against FFTW-3.3.10-GCC-14.3.0.eb

easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-GCC-14.3.0.eb

diff --git a/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-GCC-14.3.0.eb b/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-llvm-compilers-20.1.8.eb
index 663ed7191b..8d140d1a31 100644
--- a/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-GCC-14.3.0.eb
+++ b/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-llvm-compilers-20.1.8.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': 'GCC', 'version': '14.3.0'}
+toolchain = {'name': 'llvm-compilers', 'version': '20.1.8'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]
@@ -14,4 +14,8 @@ checksums = ['56c932549852cddcfafdab3820b0200c7742675be92179e59e6215b340e26467']
 
 runtest = 'check'
 
+# Right now FFTW checks for GCC>4.6, (specifically GCC) when quad precision is enabled
+# Should check can be safely disabled in order to compile with LLVM
+with_quad_prec = False
+
 moduleclass = 'numlib'

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-llvm-compilers-20.1.8.eb
index 79fb090b48..8d140d1a31 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-llvm-compilers-20.1.8.eb
@@ -5,22 +5,17 @@ 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': 'llvm-compilers', 'version': '20.1.8'}
 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
-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'
 
+# Right now FFTW checks for GCC>4.6, (specifically GCC) when quad precision is enabled
+# Should check can be safely disabled in order to compile with LLVM
+with_quad_prec = False
+
 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-llvm-compilers-20.1.8.eb
index 6ea1d560d5..8d140d1a31 100644
--- a/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-GCC-14.2.0.eb
+++ b/easybuild/easyconfigs/f/FFTW/FFTW-3.3.10-llvm-compilers-20.1.8.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': 'GCC', 'version': '14.2.0'}
+toolchain = {'name': 'llvm-compilers', 'version': '20.1.8'}
 toolchainopts = {'pic': True}
 
 source_urls = [homepage]
@@ -14,4 +14,8 @@ checksums = ['56c932549852cddcfafdab3820b0200c7742675be92179e59e6215b340e26467']
 
 runtest = 'check'
 
+# Right now FFTW checks for GCC>4.6, (specifically GCC) when quad precision is enabled
+# Should check can be safely disabled in order to compile with LLVM
+with_quad_prec = False
+
 moduleclass = 'numlib'

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.

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] Add files for compiling QE with lfoss TC 2025b #24516

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Thyre mentioned this pull request Nov 10, 2025

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

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

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Crivella commented Nov 10, 2025

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github-actions bot commented Nov 10, 2025

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

Updated software FFTW-3.3.10-llvm-compilers-20.1.8.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

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

Updated software `FFTW-3.3.10-llvm-compilers-20.1.8.eb`

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