{phys,lib} [foss/2024a] Yambo 5.3.0 single precision, DeviceXlib 0.9.0 by nicspalla · Pull Request #23885 · easybuilders/easybuild-easyconfigs

nicspalla · 2025-09-16T15:13:15Z

This pull request collects the recipes to compile Yambo version 5.3.0 in single precision with the foss/2024a toolchains.
Starting from version 5.3.0, Yambo requires the DeviceXlib library, developed by the same Yambo developers.

Created recipes for library DeviceXlib (new dependency of Yambo) Created new recipes for PETSc and SLEPc compiled in single precision

github-actions · 2025-09-16T15:14:02Z

Updated software `PETSc-3.20.3-gompi-2023a-single-fb.eb`

Diff against PETSc-3.24.0-foss-2025b.eb

easybuild/easyconfigs/p/PETSc/PETSc-3.24.0-foss-2025b.eb

diff --git a/easybuild/easyconfigs/p/PETSc/PETSc-3.24.0-foss-2025b.eb b/easybuild/easyconfigs/p/PETSc/PETSc-3.20.3-gompi-2023a-single-fb.eb
index d268dbc92c..5240e1f35f 100644
--- a/easybuild/easyconfigs/p/PETSc/PETSc-3.24.0-foss-2025b.eb
+++ b/easybuild/easyconfigs/p/PETSc/PETSc-3.20.3-gompi-2023a-single-fb.eb
@@ -1,47 +1,41 @@
-# HDF5-support added
-# Author: J. Saßmannshausen (Imperial College London/UK)
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+#
+# This recipe was obtained from PETSc-3.20.3-foss-2023a.eb
+#      Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+#      Author:    Jasper Grimm (UoY)
+##
+
+easyblock = 'ConfigureMake'
 
 name = 'PETSc'
-version = '3.24.0'
+version = '3.20.3'
+versionsuffix = '-single-fb'
 
 homepage = 'https://www.mcs.anl.gov/petsc'
 description = """PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the
  scalable (parallel) solution of scientific applications modeled by partial differential equations."""
 
-toolchain = {'name': 'foss', 'version': '2025b'}
+toolchain = {'name': 'gompi', 'version': '2023a'}
 toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
 
 source_urls = [
     'https://web.cels.anl.gov/projects/petsc/download/release-snapshots',
 ]
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['cc9063d80cae3ca87dd34586a92bac49613818a0689d9eac1bd91a799c5d0983']
+checksums = ['75a94fb44df0512f51ad093fa784e56b61f51b7ead5956fbe49185c203f8c245']
 
-builddependencies = [
-    ('CMake', '3.31.8'),
-    ('Bison', '3.8.2'),
-]
+builddependencies = [('CMake', '3.26.3')]
 
 dependencies = [
-    ('Python', '3.13.5'),
-    ('SciPy-bundle', '2025.07'),
-    ('Boost', '1.88.0'),
-    ('METIS', '5.1.0'),
-    ('SCOTCH', '7.0.10'),
-    ('MUMPS', '5.8.1', '-metis'),
-    ('SuiteSparse', '7.11.0'),
-    ('Hypre', '2.33.0'),
-    ('ParMETIS', '4.0.3'),
-    ('SuperLU_DIST', '9.1.0'),
-    ('mpi4py', '4.1.0'),
-    ('HDF5', '1.14.6'),
-    ('hwloc', '2.12.1'),
-    ('netCDF', '4.9.3'),
-    ('PnetCDF', '1.14.1'),
-    ('zlib', '1.3.1'),
+    ('Python', '3.11.3'),
+    ('FlexiBLAS', '3.3.1'),
 ]
 
-configopts = '--LIBS="$LIBS -lrt" --with-mpi4py=0 '
+configopts = ' --LIBS="$LIBS -lrt" '
+configopts += '--with-scalar-type="complex" '
+configopts += '--with-precision="single" '
+configopts += '--with-blas-lapack-lib="$EBROOTFLEXIBLAS/lib/libflexiblas.a -lgfortran" '
 
 shared_libs = 1
 
@@ -49,4 +43,10 @@ shared_libs = 1
 # configopts += '--with-batch=1 --known-mpi-shared-libraries=1 --known-64-bit-blas-indices=0 '
 # prebuildopts = "srun ./conftest-arch-linux2-c-opt && ./reconfigure-arch-linux2-c-opt.py && "
 
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib', 'lib64', 'include']
+}
+
+
 moduleclass = 'numlib'

Diff against PETSc-3.23.5-foss-2025a.eb

easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2025a.eb

diff --git a/easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2025a.eb b/easybuild/easyconfigs/p/PETSc/PETSc-3.20.3-gompi-2023a-single-fb.eb
index bd28197d86..5240e1f35f 100644
--- a/easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2025a.eb
+++ b/easybuild/easyconfigs/p/PETSc/PETSc-3.20.3-gompi-2023a-single-fb.eb
@@ -1,36 +1,41 @@
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+#
+# This recipe was obtained from PETSc-3.20.3-foss-2023a.eb
+#      Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+#      Author:    Jasper Grimm (UoY)
+##
+
+easyblock = 'ConfigureMake'
+
 name = 'PETSc'
-version = '3.23.5'
+version = '3.20.3'
+versionsuffix = '-single-fb'
 
 homepage = 'https://www.mcs.anl.gov/petsc'
 description = """PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the
  scalable (parallel) solution of scientific applications modeled by partial differential equations."""
 
-toolchain = {'name': 'foss', 'version': '2025a'}
+toolchain = {'name': 'gompi', 'version': '2023a'}
 toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
 
 source_urls = [
     'https://web.cels.anl.gov/projects/petsc/download/release-snapshots',
 ]
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['b0bb614dfbf36c286c8cad30912fe77359dccbf6b65a5edd1dde82af293f21fc']
+checksums = ['75a94fb44df0512f51ad093fa784e56b61f51b7ead5956fbe49185c203f8c245']
 
-builddependencies = [('CMake', '3.31.3')]
+builddependencies = [('CMake', '3.26.3')]
 
 dependencies = [
-    ('Python', '3.13.1'),
-    ('SciPy-bundle', '2025.06'),
-    ('Boost', '1.88.0'),
-    ('METIS', '5.1.0'),
-    ('SCOTCH', '7.0.8'),
-    ('MUMPS', '5.8.1', '-metis'),
-    ('SuiteSparse', '7.10.3'),
-    ('Hypre', '2.33.0'),
-    ('ParMETIS', '4.0.3'),
-    ('SuperLU_DIST', '9.1.0'),
-    ('mpi4py', '4.1.0'),
+    ('Python', '3.11.3'),
+    ('FlexiBLAS', '3.3.1'),
 ]
 
-configopts = '--LIBS="$LIBS -lrt" --with-mpi4py=0 '
+configopts = ' --LIBS="$LIBS -lrt" '
+configopts += '--with-scalar-type="complex" '
+configopts += '--with-precision="single" '
+configopts += '--with-blas-lapack-lib="$EBROOTFLEXIBLAS/lib/libflexiblas.a -lgfortran" '
 
 shared_libs = 1
 
@@ -38,4 +43,10 @@ shared_libs = 1
 # configopts += '--with-batch=1 --known-mpi-shared-libraries=1 --known-64-bit-blas-indices=0 '
 # prebuildopts = "srun ./conftest-arch-linux2-c-opt && ./reconfigure-arch-linux2-c-opt.py && "
 
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib', 'lib64', 'include']
+}
+
+
 moduleclass = 'numlib'

Diff against PETSc-3.23.5-foss-2024a.eb

easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2024a.eb

diff --git a/easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2024a.eb b/easybuild/easyconfigs/p/PETSc/PETSc-3.20.3-gompi-2023a-single-fb.eb
index a44a905052..5240e1f35f 100644
--- a/easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2024a.eb
+++ b/easybuild/easyconfigs/p/PETSc/PETSc-3.20.3-gompi-2023a-single-fb.eb
@@ -1,36 +1,41 @@
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+#
+# This recipe was obtained from PETSc-3.20.3-foss-2023a.eb
+#      Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+#      Author:    Jasper Grimm (UoY)
+##
+
+easyblock = 'ConfigureMake'
+
 name = 'PETSc'
-version = '3.23.5'
+version = '3.20.3'
+versionsuffix = '-single-fb'
 
 homepage = 'https://www.mcs.anl.gov/petsc'
 description = """PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the
  scalable (parallel) solution of scientific applications modeled by partial differential equations."""
 
-toolchain = {'name': 'foss', 'version': '2024a'}
+toolchain = {'name': 'gompi', 'version': '2023a'}
 toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
 
 source_urls = [
     'https://web.cels.anl.gov/projects/petsc/download/release-snapshots',
 ]
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['b0bb614dfbf36c286c8cad30912fe77359dccbf6b65a5edd1dde82af293f21fc']
+checksums = ['75a94fb44df0512f51ad093fa784e56b61f51b7ead5956fbe49185c203f8c245']
 
-builddependencies = [('CMake', '3.29.3')]
+builddependencies = [('CMake', '3.26.3')]
 
 dependencies = [
-    ('Python', '3.12.3'),
-    ('SciPy-bundle', '2024.05'),
-    ('Boost', '1.85.0'),
-    ('METIS', '5.1.0'),
-    ('SCOTCH', '7.0.6'),
-    ('MUMPS', '5.7.2', '-metis'),
-    ('SuiteSparse', '7.10.1'),
-    ('Hypre', '2.32.0'),
-    ('ParMETIS', '4.0.3'),
-    ('SuperLU_DIST', '9.1.0'),
-    ('mpi4py', '4.0.1'),
+    ('Python', '3.11.3'),
+    ('FlexiBLAS', '3.3.1'),
 ]
 
-configopts = '--LIBS="$LIBS -lrt" --with-mpi4py=0 '
+configopts = ' --LIBS="$LIBS -lrt" '
+configopts += '--with-scalar-type="complex" '
+configopts += '--with-precision="single" '
+configopts += '--with-blas-lapack-lib="$EBROOTFLEXIBLAS/lib/libflexiblas.a -lgfortran" '
 
 shared_libs = 1
 
@@ -38,4 +43,10 @@ shared_libs = 1
 # configopts += '--with-batch=1 --known-mpi-shared-libraries=1 --known-64-bit-blas-indices=0 '
 # prebuildopts = "srun ./conftest-arch-linux2-c-opt && ./reconfigure-arch-linux2-c-opt.py && "
 
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib', 'lib64', 'include']
+}
+
+
 moduleclass = 'numlib'

Updated software `PETSc-3.22.5-gompi-2024a-single-fb.eb`

Diff against PETSc-3.24.0-foss-2025b.eb

easybuild/easyconfigs/p/PETSc/PETSc-3.24.0-foss-2025b.eb

diff --git a/easybuild/easyconfigs/p/PETSc/PETSc-3.24.0-foss-2025b.eb b/easybuild/easyconfigs/p/PETSc/PETSc-3.22.5-gompi-2024a-single-fb.eb
index d268dbc92c..669a71e1e5 100644
--- a/easybuild/easyconfigs/p/PETSc/PETSc-3.24.0-foss-2025b.eb
+++ b/easybuild/easyconfigs/p/PETSc/PETSc-3.22.5-gompi-2024a-single-fb.eb
@@ -1,47 +1,41 @@
-# HDF5-support added
-# Author: J. Saßmannshausen (Imperial College London/UK)
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+#
+# This recipe was obtained from PETSc-3.20.3-foss-2023a.eb
+#      Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+#      Author:    Jasper Grimm (UoY)
+##
+
+easyblock = 'ConfigureMake'
 
 name = 'PETSc'
-version = '3.24.0'
+version = '3.22.5'
+versionsuffix = '-single-fb'
 
 homepage = 'https://www.mcs.anl.gov/petsc'
 description = """PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the
  scalable (parallel) solution of scientific applications modeled by partial differential equations."""
 
-toolchain = {'name': 'foss', 'version': '2025b'}
+toolchain = {'name': 'gompi', 'version': '2024a'}
 toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
 
 source_urls = [
-    'https://web.cels.anl.gov/projects/petsc/download/release-snapshots',
+    'https://gitlab.com/petsc/petsc/-/archive/v%(version)s/',
 ]
-sources = [SOURCELOWER_TAR_GZ]
-checksums = ['cc9063d80cae3ca87dd34586a92bac49613818a0689d9eac1bd91a799c5d0983']
+sources = ['%(namelower)s-v%(version)s.tar.gz']
+checksums = ['69ee2bb9e17867b4f7a3875023708891b66cd811d967b0612acbe7391018dca7']
 
-builddependencies = [
-    ('CMake', '3.31.8'),
-    ('Bison', '3.8.2'),
-]
+builddependencies = [('CMake', '3.29.3')]
 
 dependencies = [
-    ('Python', '3.13.5'),
-    ('SciPy-bundle', '2025.07'),
-    ('Boost', '1.88.0'),
-    ('METIS', '5.1.0'),
-    ('SCOTCH', '7.0.10'),
-    ('MUMPS', '5.8.1', '-metis'),
-    ('SuiteSparse', '7.11.0'),
-    ('Hypre', '2.33.0'),
-    ('ParMETIS', '4.0.3'),
-    ('SuperLU_DIST', '9.1.0'),
-    ('mpi4py', '4.1.0'),
-    ('HDF5', '1.14.6'),
-    ('hwloc', '2.12.1'),
-    ('netCDF', '4.9.3'),
-    ('PnetCDF', '1.14.1'),
-    ('zlib', '1.3.1'),
+    ('Python', '3.12.3'),
+    ('FlexiBLAS', '3.4.4'),
 ]
 
-configopts = '--LIBS="$LIBS -lrt" --with-mpi4py=0 '
+configopts = ' --LIBS="$LIBS -lrt" '
+configopts += '--with-scalar-type="complex" '
+configopts += '--with-precision="single" '
+configopts += '--with-blas-lapack-lib="$EBROOTFLEXIBLAS/lib/libflexiblas.a -lgfortran" '
 
 shared_libs = 1
 
@@ -49,4 +43,10 @@ shared_libs = 1
 # configopts += '--with-batch=1 --known-mpi-shared-libraries=1 --known-64-bit-blas-indices=0 '
 # prebuildopts = "srun ./conftest-arch-linux2-c-opt && ./reconfigure-arch-linux2-c-opt.py && "
 
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib', 'lib64', 'include']
+}
+
+
 moduleclass = 'numlib'

Diff against PETSc-3.23.5-foss-2025a.eb

easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2025a.eb

diff --git a/easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2025a.eb b/easybuild/easyconfigs/p/PETSc/PETSc-3.22.5-gompi-2024a-single-fb.eb
index bd28197d86..669a71e1e5 100644
--- a/easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2025a.eb
+++ b/easybuild/easyconfigs/p/PETSc/PETSc-3.22.5-gompi-2024a-single-fb.eb
@@ -1,36 +1,41 @@
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+#
+# This recipe was obtained from PETSc-3.20.3-foss-2023a.eb
+#      Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+#      Author:    Jasper Grimm (UoY)
+##
+
+easyblock = 'ConfigureMake'
+
 name = 'PETSc'
-version = '3.23.5'
+version = '3.22.5'
+versionsuffix = '-single-fb'
 
 homepage = 'https://www.mcs.anl.gov/petsc'
 description = """PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the
  scalable (parallel) solution of scientific applications modeled by partial differential equations."""
 
-toolchain = {'name': 'foss', 'version': '2025a'}
+toolchain = {'name': 'gompi', 'version': '2024a'}
 toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
 
 source_urls = [
-    'https://web.cels.anl.gov/projects/petsc/download/release-snapshots',
+    'https://gitlab.com/petsc/petsc/-/archive/v%(version)s/',
 ]
-sources = [SOURCELOWER_TAR_GZ]
-checksums = ['b0bb614dfbf36c286c8cad30912fe77359dccbf6b65a5edd1dde82af293f21fc']
+sources = ['%(namelower)s-v%(version)s.tar.gz']
+checksums = ['69ee2bb9e17867b4f7a3875023708891b66cd811d967b0612acbe7391018dca7']
 
-builddependencies = [('CMake', '3.31.3')]
+builddependencies = [('CMake', '3.29.3')]
 
 dependencies = [
-    ('Python', '3.13.1'),
-    ('SciPy-bundle', '2025.06'),
-    ('Boost', '1.88.0'),
-    ('METIS', '5.1.0'),
-    ('SCOTCH', '7.0.8'),
-    ('MUMPS', '5.8.1', '-metis'),
-    ('SuiteSparse', '7.10.3'),
-    ('Hypre', '2.33.0'),
-    ('ParMETIS', '4.0.3'),
-    ('SuperLU_DIST', '9.1.0'),
-    ('mpi4py', '4.1.0'),
+    ('Python', '3.12.3'),
+    ('FlexiBLAS', '3.4.4'),
 ]
 
-configopts = '--LIBS="$LIBS -lrt" --with-mpi4py=0 '
+configopts = ' --LIBS="$LIBS -lrt" '
+configopts += '--with-scalar-type="complex" '
+configopts += '--with-precision="single" '
+configopts += '--with-blas-lapack-lib="$EBROOTFLEXIBLAS/lib/libflexiblas.a -lgfortran" '
 
 shared_libs = 1
 
@@ -38,4 +43,10 @@ shared_libs = 1
 # configopts += '--with-batch=1 --known-mpi-shared-libraries=1 --known-64-bit-blas-indices=0 '
 # prebuildopts = "srun ./conftest-arch-linux2-c-opt && ./reconfigure-arch-linux2-c-opt.py && "
 
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib', 'lib64', 'include']
+}
+
+
 moduleclass = 'numlib'

Diff against PETSc-3.23.5-foss-2024a.eb

easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2024a.eb

diff --git a/easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2024a.eb b/easybuild/easyconfigs/p/PETSc/PETSc-3.22.5-gompi-2024a-single-fb.eb
index a44a905052..669a71e1e5 100644
--- a/easybuild/easyconfigs/p/PETSc/PETSc-3.23.5-foss-2024a.eb
+++ b/easybuild/easyconfigs/p/PETSc/PETSc-3.22.5-gompi-2024a-single-fb.eb
@@ -1,36 +1,41 @@
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+#
+# This recipe was obtained from PETSc-3.20.3-foss-2023a.eb
+#      Author:    Robert Mijakovic <robert.mijakovic@lxp.lu>
+#      Author:    Jasper Grimm (UoY)
+##
+
+easyblock = 'ConfigureMake'
+
 name = 'PETSc'
-version = '3.23.5'
+version = '3.22.5'
+versionsuffix = '-single-fb'
 
 homepage = 'https://www.mcs.anl.gov/petsc'
 description = """PETSc, pronounced PET-see (the S is silent), is a suite of data structures and routines for the
  scalable (parallel) solution of scientific applications modeled by partial differential equations."""
 
-toolchain = {'name': 'foss', 'version': '2024a'}
+toolchain = {'name': 'gompi', 'version': '2024a'}
 toolchainopts = {'openmp': True, 'usempi': True, 'pic': True}
 
 source_urls = [
-    'https://web.cels.anl.gov/projects/petsc/download/release-snapshots',
+    'https://gitlab.com/petsc/petsc/-/archive/v%(version)s/',
 ]
-sources = [SOURCELOWER_TAR_GZ]
-checksums = ['b0bb614dfbf36c286c8cad30912fe77359dccbf6b65a5edd1dde82af293f21fc']
+sources = ['%(namelower)s-v%(version)s.tar.gz']
+checksums = ['69ee2bb9e17867b4f7a3875023708891b66cd811d967b0612acbe7391018dca7']
 
 builddependencies = [('CMake', '3.29.3')]
 
 dependencies = [
     ('Python', '3.12.3'),
-    ('SciPy-bundle', '2024.05'),
-    ('Boost', '1.85.0'),
-    ('METIS', '5.1.0'),
-    ('SCOTCH', '7.0.6'),
-    ('MUMPS', '5.7.2', '-metis'),
-    ('SuiteSparse', '7.10.1'),
-    ('Hypre', '2.32.0'),
-    ('ParMETIS', '4.0.3'),
-    ('SuperLU_DIST', '9.1.0'),
-    ('mpi4py', '4.0.1'),
+    ('FlexiBLAS', '3.4.4'),
 ]
 
-configopts = '--LIBS="$LIBS -lrt" --with-mpi4py=0 '
+configopts = ' --LIBS="$LIBS -lrt" '
+configopts += '--with-scalar-type="complex" '
+configopts += '--with-precision="single" '
+configopts += '--with-blas-lapack-lib="$EBROOTFLEXIBLAS/lib/libflexiblas.a -lgfortran" '
 
 shared_libs = 1
 
@@ -38,4 +43,10 @@ shared_libs = 1
 # configopts += '--with-batch=1 --known-mpi-shared-libraries=1 --known-64-bit-blas-indices=0 '
 # prebuildopts = "srun ./conftest-arch-linux2-c-opt && ./reconfigure-arch-linux2-c-opt.py && "
 
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['lib', 'lib64', 'include']
+}
+
+
 moduleclass = 'numlib'

Updated software `SLEPc-3.20.1-gompi-2023a-single-fb.eb`

Diff against SLEPc-3.23.3-foss-2025a.eb

easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.3-foss-2025a.eb

diff --git a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.3-foss-2025a.eb b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.20.1-gompi-2023a-single-fb.eb
index ef4f2a47ab..31115b4b09 100644
--- a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.3-foss-2025a.eb
+++ b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.20.1-gompi-2023a-single-fb.eb
@@ -1,23 +1,43 @@
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+##
+
+easyblock = 'ConfigureMake'
+
 name = 'SLEPc'
-version = '3.23.3'
+version = '3.20.1'
+versionsuffix = '-single-fb'
 
 homepage = 'https://slepc.upv.es'
-description = """SLEPc (Scalable Library for Eigenvalue Problem Computations)
-is a software library for the solution of large scale sparse eigenvalue
-problems on parallel computers. It is an extension of PETSc and can be used for
-either standard or generalized eigenproblems, with real or complex arithmetic.
-It can also be used for computing a partial SVD of a large, sparse, rectangular
-matrix, and to solve quadratic eigenvalue problems."""
-
-toolchain = {'name': 'foss', 'version': '2025a'}
+description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution
+ of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for
+ either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a
+ partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems."""
+
+toolchain = {'name': 'gompi', 'version': '2023a'}
 toolchainopts = {'usempi': True, 'openmp': True}
 
 source_urls = ['https://slepc.upv.es/download/distrib']
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['6b0c4f706bdfca46f00b30026b4d92a4eb68faa03e40cbcbfeadb89999653621']
+checksums = ['5a36b664895881d3858d0644f56bf7bb922bdab70d732fa11cbf6442fec11806']
+
+dependencies = [('PETSc', '3.20.3', '-single-fb')]
+
+preconfigopts = ' && '.join([
+    'export PETSC_DIR=$EBROOTPETSC',
+    'export SLEPC_DIR=$PWD',
+]) + ' && '
+
+#petsc_arch = 'installed-arch-linux2-c-opt'
+
+#configopts = '--with-petsc-dir=$EBROOTPETSC '
 
-dependencies = [('PETSc', '3.23.5')]
+buildopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD'
+installopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD install'
 
-petsc_arch = 'installed-arch-linux2-c-opt'
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['include', 'lib'],
+}
 
 moduleclass = 'numlib'

Diff against SLEPc-3.24.0-foss-2025b.eb

easybuild/easyconfigs/s/SLEPc/SLEPc-3.24.0-foss-2025b.eb

diff --git a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.24.0-foss-2025b.eb b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.20.1-gompi-2023a-single-fb.eb
index a62c62fac0..31115b4b09 100644
--- a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.24.0-foss-2025b.eb
+++ b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.20.1-gompi-2023a-single-fb.eb
@@ -1,23 +1,43 @@
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+##
+
+easyblock = 'ConfigureMake'
+
 name = 'SLEPc'
-version = '3.24.0'
+version = '3.20.1'
+versionsuffix = '-single-fb'
 
 homepage = 'https://slepc.upv.es'
-description = """SLEPc (Scalable Library for Eigenvalue Problem Computations)
-is a software library for the solution of large scale sparse eigenvalue
-problems on parallel computers. It is an extension of PETSc and can be used for
-either standard or generalized eigenproblems, with real or complex arithmetic.
-It can also be used for computing a partial SVD of a large, sparse, rectangular
-matrix, and to solve quadratic eigenvalue problems."""
-
-toolchain = {'name': 'foss', 'version': '2025b'}
+description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution
+ of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for
+ either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a
+ partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems."""
+
+toolchain = {'name': 'gompi', 'version': '2023a'}
 toolchainopts = {'usempi': True, 'openmp': True}
 
 source_urls = ['https://slepc.upv.es/download/distrib']
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['6e2d14c98aa9138ac698a2a04a7c6a9f9569988f570b2cfbe4935d32364cb4e9']
+checksums = ['5a36b664895881d3858d0644f56bf7bb922bdab70d732fa11cbf6442fec11806']
+
+dependencies = [('PETSc', '3.20.3', '-single-fb')]
+
+preconfigopts = ' && '.join([
+    'export PETSC_DIR=$EBROOTPETSC',
+    'export SLEPC_DIR=$PWD',
+]) + ' && '
+
+#petsc_arch = 'installed-arch-linux2-c-opt'
+
+#configopts = '--with-petsc-dir=$EBROOTPETSC '
 
-dependencies = [('PETSc', '3.24.0')]
+buildopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD'
+installopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD install'
 
-petsc_arch = 'installed-arch-linux2-c-opt'
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['include', 'lib'],
+}
 
 moduleclass = 'numlib'

Diff against SLEPc-3.23.2-foss-2024a.eb

easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.2-foss-2024a.eb

diff --git a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.2-foss-2024a.eb b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.20.1-gompi-2023a-single-fb.eb
index 378278aa3f..31115b4b09 100644
--- a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.2-foss-2024a.eb
+++ b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.20.1-gompi-2023a-single-fb.eb
@@ -1,5 +1,12 @@
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+##
+
+easyblock = 'ConfigureMake'
+
 name = 'SLEPc'
-version = '3.23.2'
+version = '3.20.1'
+versionsuffix = '-single-fb'
 
 homepage = 'https://slepc.upv.es'
 description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution
@@ -7,15 +14,30 @@ description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is
  either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a
  partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems."""
 
-toolchain = {'name': 'foss', 'version': '2024a'}
+toolchain = {'name': 'gompi', 'version': '2023a'}
 toolchainopts = {'usempi': True, 'openmp': True}
 
 source_urls = ['https://slepc.upv.es/download/distrib']
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['3060a95692151ef0f9ba4ca11da18d5dcd86697b59f6aeee723de92d7bd465a1']
+checksums = ['5a36b664895881d3858d0644f56bf7bb922bdab70d732fa11cbf6442fec11806']
+
+dependencies = [('PETSc', '3.20.3', '-single-fb')]
+
+preconfigopts = ' && '.join([
+    'export PETSC_DIR=$EBROOTPETSC',
+    'export SLEPC_DIR=$PWD',
+]) + ' && '
+
+#petsc_arch = 'installed-arch-linux2-c-opt'
+
+#configopts = '--with-petsc-dir=$EBROOTPETSC '
 
-dependencies = [('PETSc', '3.23.5')]
+buildopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD'
+installopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD install'
 
-petsc_arch = 'installed-arch-linux2-c-opt'
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['include', 'lib'],
+}
 
 moduleclass = 'numlib'

Updated software `SLEPc-3.22.2-gompi-2024a-single-fb.eb`

Diff against SLEPc-3.23.3-foss-2025a.eb

easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.3-foss-2025a.eb

diff --git a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.3-foss-2025a.eb b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.22.2-gompi-2024a-single-fb.eb
index ef4f2a47ab..4846614ad7 100644
--- a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.3-foss-2025a.eb
+++ b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.22.2-gompi-2024a-single-fb.eb
@@ -1,23 +1,43 @@
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+##
+
+easyblock = 'ConfigureMake'
+
 name = 'SLEPc'
-version = '3.23.3'
+version = '3.22.2'
+versionsuffix = '-single-fb'
 
 homepage = 'https://slepc.upv.es'
-description = """SLEPc (Scalable Library for Eigenvalue Problem Computations)
-is a software library for the solution of large scale sparse eigenvalue
-problems on parallel computers. It is an extension of PETSc and can be used for
-either standard or generalized eigenproblems, with real or complex arithmetic.
-It can also be used for computing a partial SVD of a large, sparse, rectangular
-matrix, and to solve quadratic eigenvalue problems."""
-
-toolchain = {'name': 'foss', 'version': '2025a'}
+description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution
+ of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for
+ either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a
+ partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems."""
+
+toolchain = {'name': 'gompi', 'version': '2024a'}
 toolchainopts = {'usempi': True, 'openmp': True}
 
 source_urls = ['https://slepc.upv.es/download/distrib']
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['6b0c4f706bdfca46f00b30026b4d92a4eb68faa03e40cbcbfeadb89999653621']
+checksums = ['b60e58b2fa5eb7db05ce5e3a585811b43b1cc7cf89c32266e37b05f0cefd8899']
+
+dependencies = [('PETSc', '3.22.5', '-single-fb')]
+
+preconfigopts = ' && '.join([
+    'export PETSC_DIR=$EBROOTPETSC',
+    'export SLEPC_DIR=$PWD',
+]) + ' && '
+
+#petsc_arch = 'installed-arch-linux2-c-opt'
+
+#configopts = '--with-petsc-dir=$EBROOTPETSC '
 
-dependencies = [('PETSc', '3.23.5')]
+buildopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD'
+installopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD install'
 
-petsc_arch = 'installed-arch-linux2-c-opt'
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['include', 'lib'],
+}
 
 moduleclass = 'numlib'

Diff against SLEPc-3.24.0-foss-2025b.eb

easybuild/easyconfigs/s/SLEPc/SLEPc-3.24.0-foss-2025b.eb

diff --git a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.24.0-foss-2025b.eb b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.22.2-gompi-2024a-single-fb.eb
index a62c62fac0..4846614ad7 100644
--- a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.24.0-foss-2025b.eb
+++ b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.22.2-gompi-2024a-single-fb.eb
@@ -1,23 +1,43 @@
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+##
+
+easyblock = 'ConfigureMake'
+
 name = 'SLEPc'
-version = '3.24.0'
+version = '3.22.2'
+versionsuffix = '-single-fb'
 
 homepage = 'https://slepc.upv.es'
-description = """SLEPc (Scalable Library for Eigenvalue Problem Computations)
-is a software library for the solution of large scale sparse eigenvalue
-problems on parallel computers. It is an extension of PETSc and can be used for
-either standard or generalized eigenproblems, with real or complex arithmetic.
-It can also be used for computing a partial SVD of a large, sparse, rectangular
-matrix, and to solve quadratic eigenvalue problems."""
-
-toolchain = {'name': 'foss', 'version': '2025b'}
+description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution
+ of large scale sparse eigenvalue problems on parallel computers. It is an extension of PETSc and can be used for
+ either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a
+ partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems."""
+
+toolchain = {'name': 'gompi', 'version': '2024a'}
 toolchainopts = {'usempi': True, 'openmp': True}
 
 source_urls = ['https://slepc.upv.es/download/distrib']
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['6e2d14c98aa9138ac698a2a04a7c6a9f9569988f570b2cfbe4935d32364cb4e9']
+checksums = ['b60e58b2fa5eb7db05ce5e3a585811b43b1cc7cf89c32266e37b05f0cefd8899']
+
+dependencies = [('PETSc', '3.22.5', '-single-fb')]
+
+preconfigopts = ' && '.join([
+    'export PETSC_DIR=$EBROOTPETSC',
+    'export SLEPC_DIR=$PWD',
+]) + ' && '
+
+#petsc_arch = 'installed-arch-linux2-c-opt'
+
+#configopts = '--with-petsc-dir=$EBROOTPETSC '
 
-dependencies = [('PETSc', '3.24.0')]
+buildopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD'
+installopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD install'
 
-petsc_arch = 'installed-arch-linux2-c-opt'
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['include', 'lib'],
+}
 
 moduleclass = 'numlib'

Diff against SLEPc-3.23.2-foss-2024a.eb

easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.2-foss-2024a.eb

diff --git a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.2-foss-2024a.eb b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.22.2-gompi-2024a-single-fb.eb
index 378278aa3f..4846614ad7 100644
--- a/easybuild/easyconfigs/s/SLEPc/SLEPc-3.23.2-foss-2024a.eb
+++ b/easybuild/easyconfigs/s/SLEPc/SLEPc-3.22.2-gompi-2024a-single-fb.eb
@@ -1,5 +1,12 @@
+##
+# Author: Nicola Spallanzani <nicola.spallanzani@cnr.it>
+##
+
+easyblock = 'ConfigureMake'
+
 name = 'SLEPc'
-version = '3.23.2'
+version = '3.22.2'
+versionsuffix = '-single-fb'
 
 homepage = 'https://slepc.upv.es'
 description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is a software library for the solution
@@ -7,15 +14,30 @@ description = """SLEPc (Scalable Library for Eigenvalue Problem Computations) is
  either standard or generalized eigenproblems, with real or complex arithmetic. It can also be used for computing a
  partial SVD of a large, sparse, rectangular matrix, and to solve quadratic eigenvalue problems."""
 
-toolchain = {'name': 'foss', 'version': '2024a'}
+toolchain = {'name': 'gompi', 'version': '2024a'}
 toolchainopts = {'usempi': True, 'openmp': True}
 
 source_urls = ['https://slepc.upv.es/download/distrib']
 sources = [SOURCELOWER_TAR_GZ]
-checksums = ['3060a95692151ef0f9ba4ca11da18d5dcd86697b59f6aeee723de92d7bd465a1']
+checksums = ['b60e58b2fa5eb7db05ce5e3a585811b43b1cc7cf89c32266e37b05f0cefd8899']
+
+dependencies = [('PETSc', '3.22.5', '-single-fb')]
+
+preconfigopts = ' && '.join([
+    'export PETSC_DIR=$EBROOTPETSC',
+    'export SLEPC_DIR=$PWD',
+]) + ' && '
+
+#petsc_arch = 'installed-arch-linux2-c-opt'
+
+#configopts = '--with-petsc-dir=$EBROOTPETSC '
 
-dependencies = [('PETSc', '3.23.5')]
+buildopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD'
+installopts = 'PETSC_DIR=$EBROOTPETSC SLEPC_DIR=$PWD install'
 
-petsc_arch = 'installed-arch-linux2-c-opt'
+sanity_check_paths = {
+    'files': [],
+    'dirs': ['include', 'lib'],
+}
 
 moduleclass = 'numlib'

ocaisa

I'm curious about the options used for PetSC, I'd be open to including an suffix version of that if you think it is really necessary, but otherwise you should try to reuse what is already there.

There are cases where you don't use the appropriate toolchain for your easyconfigs, which is introducing additional complexity. Also, you are hard overwriting flags set by EasyBuild, which makes it harder for things like hooks to have expected impact.

- use toolchainopts for F90FLAGS - remove -fb suffix for FlexiBLAS

- use toolchainopts for FCFLAGS FFLAGS CFLAGS options - DeviceXlib remove -fb suffix for FlexiBLAS

fix Moduleclass=lib

-rm file Yambo-5.3.0-foss-2023a.eb from repo

boegel · 2026-05-21T12:56:42Z

@boegelbot please test @ jsc-zen3
CORE_CNT=16

boegelbot · 2026-05-21T13:00:11Z

@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=23885 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_23885 --ntasks="16" ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 10475

Test results coming soon (I hope)...

Details

- notification for comment with ID 4508465702 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).

edit: this failed with:

ERROR: Missing dependencies: PETSc/3.22.5-foss-2024a-single-fb, SLEPc/3.22.2-foss-2024a-single-fb (no easyconfig file or existing module found)

…ecision)

boegel · 2026-06-09T16:11:47Z

@boegelbot please test @ jsc-zen3
CORE_CNT=16

boegelbot · 2026-06-09T16:20:11Z

@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=23885 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_23885 --ntasks="16" ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 10622

Test results coming soon (I hope)...

Details

- notification for comment with ID 4661696019 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 · 2026-06-09T16:21:29Z

Test report by @boegelbot
FAILED
Build succeeded for 1 out of 2 (total: 50 secs) (2 easyconfigs in total)
jsczen3c2.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.7, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.25
See https://gist.github.com/boegelbot/79df75dc203c6c2e56ee7c3866a3b768 for a full test report.

boegel · 2026-06-09T18:17:02Z

Test report by @boegelbot FAILED Build succeeded for 1 out of 2 (total: 50 secs) (2 easyconfigs in total) jsczen3c2.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.7, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.25 See https://gist.github.com/boegelbot/79df75dc203c6c2e56ee7c3866a3b768 for a full test report.

There was an old copy of iotk-y1.2.2.tar.gz in place, which has a different checksum:

Checksum verification for /project/def-maintainers/boegelbot/sources/y/Yambo/iotk-y1.2.2.tar.gz using {'iotk-y1.2.2.tar.gz': '64af6a4b98f3b62fcec603e4e1b00ef994f95a0efa53ab6593ebcfe6de1739ef'} failed.

This was downloaded long ago (1 Dec 2023), I suspect the tarball being served from https://github.com/yambo-code/yambo-libraries/tree/master/external has somehow changed since then...

This old source tarball is not used anymore, so I've just moved it out of the way, new test report should come back successfully...

boegel · 2026-06-09T18:17:10Z

@boegelbot please test @ jsc-zen3
CORE_CNT=16

boegelbot · 2026-06-09T18:20:09Z

@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=23885 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_23885 --ntasks="16" ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 10626

Test results coming soon (I hope)...

Details

- notification for comment with ID 4662686452 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).

boegel · 2026-06-09T18:35:59Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (total: 21 mins 27 secs) (2 easyconfigs in total)
node4412.skiddo.os - Linux RHEL 9.6, x86_64, AMD EPYC 9755 128-Core Processor (zen5), Python 3.9.21
See https://gist.github.com/boegel/d07b6882e4de3b2351a8a719f769a9ca for a full test report.

boegelbot · 2026-06-09T18:44:24Z

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (total: 23 mins 58 secs) (2 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.7, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.25
See https://gist.github.com/boegelbot/de32cd07b48576f263e1954a3b8c9796 for a full test report.

boegel · 2026-06-09T18:49:15Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (total: 8 mins 43 secs) (2 easyconfigs in total)
aarch64-neoverse-v1-node1.int.aws-rocky88-202310.eessi.io - Linux Rocky Linux 8.10 (Green Obsidian), AArch64, ARM UNKNOWN (neoverse_v1), Python 3.13.4
See https://gist.github.com/boegel/1978c13c920f97b0e802d32db978a167 for a full test report.

edit: this test was on top of EESSI 2025.06

boegel · 2026-06-09T19:55:16Z

Test report by @boegel
SUCCESS
Build succeeded for 1 out of 1 (total: 41 mins 38 secs) (1 easyconfigs in total)
node4235.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/ba7a850dc130b2edc9bccbe1ae4c2875 for a full test report.

boegel · 2026-06-09T20:56:55Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (total: 34 mins 13 secs) (2 easyconfigs in total)
node3501.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/624972a0353ef96c3adca9262532a969 for a full test report.

boegel · 2026-06-09T22:00:12Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (total: 39 mins 45 secs) (2 easyconfigs in total)
node4005.donphan.os - Linux RHEL 9.6, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz (cascadelake), 1 x NVIDIA NVIDIA A2, 595.71.05, Python 3.9.21
See https://gist.github.com/boegel/567a5665ebe4d90b12813c7b2ad3d267 for a full test report.

boegel · 2026-06-11T14:33:59Z

@boegelbot please test @ jsc-zen3
CORE_CNT=16

boegelbot · 2026-06-11T14:40:14Z

@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=23885 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_23885 --ntasks="16" ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

exit code: 0
output:

Submitted batch job 10691

Test results coming soon (I hope)...

Details

- notification for comment with ID 4681686566 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 · 2026-06-11T15:03:29Z

Test report by @boegelbot
SUCCESS
Build succeeded for 2 out of 2 (total: 22 mins 57 secs) (2 easyconfigs in total)
jsczen3c2.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.7, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.25
See https://gist.github.com/boegelbot/32e0577c3f2a33c199dcaf419c19adec for a full test report.

boegel · 2026-06-11T15:43:45Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (total: 32 mins 0 secs) (2 easyconfigs in total)
node3523.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/e3bc09ea92d340444e2ed9c61f8a1756 for a full test report.

boegel · 2026-06-11T15:57:14Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (total: 40 mins 7 secs) (2 easyconfigs in total)
node4008.donphan.os - Linux RHEL 9.6, x86_64, Intel(R) Xeon(R) Gold 6240 CPU @ 2.60GHz (cascadelake), 1 x NVIDIA NVIDIA A2, 595.71.05, Python 3.9.21
See https://gist.github.com/boegel/c030efafa8dae3ba1df110184f05e7b0 for a full test report.

boegel · 2026-06-11T16:14:12Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (total: 7 mins 18 secs) (2 easyconfigs in total)
aarch64-neoverse-v1-node1.int.aws-rocky88-202310.eessi.io - Linux Rocky Linux 8.10 (Green Obsidian), AArch64, ARM UNKNOWN (neoverse_v1), Python 3.11.4
See https://gist.github.com/boegel/e60c61243fa1c9e963aed37a7a22ba00 for a full test report.

edit: this was on top of EESSI 2025.06

boegel · 2026-06-11T17:05:47Z

Test report by @boegel
SUCCESS
Build succeeded for 2 out of 2 (total: 1 hour 4 mins 40 secs) (2 easyconfigs in total)
node4231.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/3db1ed0b1624d28fb2339ab58cb83807 for a full test report.

boegel

lgtm

ocaisa

LGTM

ocaisa · 2026-06-11T20:15:18Z

Going in, thanks for all your patience @nicspalla !

nicspalla · 2026-06-15T07:50:08Z

Thanks both of you for your help!

Created new recipes for Yambo v5.3.0

25cf2dd

Created recipes for library DeviceXlib (new dependency of Yambo) Created new recipes for PETSc and SLEPc compiled in single precision

github-actions Bot added the update label Sep 16, 2025

Thyre added 2023a 2024a issues & PRs related to 2024a common toolchains labels Sep 16, 2025

changed moduleclass for DeviceXlib library

9d2fe0e

boegel added EESSI Related to EESSI project EuroHPC labels Oct 1, 2025

ocaisa self-assigned this Oct 13, 2025

ocaisa requested changes Apr 8, 2026

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ocaisa reviewed Apr 9, 2026

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Comment thread easybuild/easyconfigs/s/SLEPc/SLEPc-3.20.1-gompi-2023a-single-fb.eb Outdated

Merge branch 'easybuilders:develop' into yambo-foss-single-precision

bcd7370

github-actions Bot added the new label May 21, 2026

sorland2 and others added 3 commits May 21, 2026 10:48

DeviceXlib 0.9.0 easyconfig

86e5589

- use toolchainopts for F90FLAGS - remove -fb suffix for FlexiBLAS

Yambo 5.3.0 easyconfigs

05e936e

- use toolchainopts for FCFLAGS FFLAGS CFLAGS options - DeviceXlib remove -fb suffix for FlexiBLAS

DeviceXlib-0.9.0-GCC-13.3.0.eb foss2024a

26acf1f

fix Moduleclass=lib

nicspalla changed the title ~~{phys,lib,numlib} [foss/2023a,foss/2024a] Yambo 5.3.0, DeviceXlib 0.8.6 and 0.9.0, PETSc 3.20.3 and 3.22.5, SLEPc 3.20.1 and 3.22.1, single precision~~ {phys,lib,numlib} [foss/2024a] Yambo 5.3.0 single precision, DeviceXlib 0.9.0 May 21, 2026

boegel added this to the next release (5.3.1?) milestone May 21, 2026

Yambo-5.3.0-foss-2023a.eb

8795168

-rm file Yambo-5.3.0-foss-2023a.eb from repo

nicspalla changed the title ~~{phys,lib,numlib} [foss/2024a] Yambo 5.3.0 single precision, DeviceXlib 0.9.0~~ {phys,lib} [foss/2024a] Yambo 5.3.0 single precision, DeviceXlib 0.9.0 May 21, 2026

removed unnecessary files

55a05d3

github-actions Bot removed update 2023a labels May 21, 2026

removed PETSc and SLEPc dependencies from Yambo easyconfig (single pr…

55f7796

…ecision)

nicspalla requested a review from ocaisa May 22, 2026 13:32

nicspalla and others added 2 commits May 26, 2026 17:02

fix fail of test_style_conformance

a1ec681

Merge branch 'easybuilders:develop' into yambo-foss-single-precision

b3d9b64

Merge branch 'easybuilders:develop' into yambo-foss-single-precision

102dff5

boegel requested changes Jun 9, 2026

View reviewed changes

Comment thread easybuild/easyconfigs/d/DeviceXlib/DeviceXlib-0.9.0-GCC-13.3.0.eb

enhance sanity check for DeviceXlib

97e58a1

boegel reviewed Jun 9, 2026

View reviewed changes

Comment thread easybuild/easyconfigs/y/Yambo/Yambo-5.3.0-foss-2024a.eb Outdated

nicspalla and others added 2 commits June 11, 2026 07:57

Removed vectorize: None in the Yambo recipe (see PR easybuilders#23885)

cb7f41d

Merge branch 'easybuilders:develop' into yambo-foss-single-precision

ba2c9c2

boegel approved these changes Jun 11, 2026

View reviewed changes

ocaisa approved these changes Jun 11, 2026

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ocaisa merged commit 1c4d755 into easybuilders:develop Jun 11, 2026
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Updated software PETSc-3.20.3-gompi-2023a-single-fb.eb

Updated software PETSc-3.22.5-gompi-2024a-single-fb.eb

Updated software SLEPc-3.20.1-gompi-2023a-single-fb.eb

Updated software SLEPc-3.22.2-gompi-2024a-single-fb.eb

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nicspalla commented Sep 16, 2025 •

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github-actions Bot commented Sep 16, 2025 •

edited

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Updated software `PETSc-3.20.3-gompi-2023a-single-fb.eb`

Updated software `PETSc-3.22.5-gompi-2024a-single-fb.eb`

Updated software `SLEPc-3.20.1-gompi-2023a-single-fb.eb`

Updated software `SLEPc-3.22.2-gompi-2024a-single-fb.eb`

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