Merge pull request #4074 from easybuilders/5.2.x

release EasyBuild v5.2.1

Author: boegel

.github/workflows/linting.yml

@@ -22,7 +22,7 @@ jobs:
     - name: install Python packages
       run: |
         pip install --upgrade pip
-        pip install --upgrade flake8
+        pip install --upgrade flake8 flake8-comprehensions
 
     - name: Run flake8 to verify PEP8-compliance of Python code
       run: flake8

RELEASE_NOTES

@@ -3,7 +3,48 @@ For more detailed information, please see the git log.
 
 These release notes can also be consulted at https://docs.easybuild.io/release-notes .
 
-The latest version of easybuild-easyblocks provides 206 software-specific easyblocks and 46 generic easyblocks.
+The latest version of easybuild-easyblocks provides 208 software-specific easyblocks and 46 generic easyblocks.
+
+v5.2.1 (20 Feb 2026)
+--------------------
+
+- new easyblocks:
+  - software-specific easyblocks for AOCL-LAPACK (#4042) and ROCm-LLVM (#3823)
+- bug fixes:
+  - avoid incorrect symlinks for NVHPC by force-setting selected CUDA version in install script (#4024)
+  - fix typo in description for `build_env_vars` easyconfig parameter of `BuildEnv` easyblock (#4030)
+  - disable FlexiBLAS backends that are in the list of filtered dependencies (#4031)
+  - transfer dependencies in Bundle easyblock and fix sanity check for module only (#4037, #4057)
+  - fix missed sanity check in custom easyblock for GCC (#4041)
+  - set `$Python3_ROOT_DIR` in `PythonPackage` easyblock (#4043)
+  - ensure AmberTools will find the correct Python library and include dir (#4045)
+  - fix setting Python variables in TensorRT easyblock (#4046)
+  - fix WIEN2k easyblock for newer toolchains (#4048)
+  - fix error reporting for number of checksums vs number of sources + patches in custom easyblock for Python (#4055)
+  - fix call to parent for static method `src_parameter_names` in `Cargo` easyblock (#4062)
+  - fix limiting of threads for OpenBLAS tests (#4067)
+- enhancements:
+  - add support for detecting external MAGMA library for ELSI (#3536)
+  - create lockfile for Cargo package if missing (#3995)
+  - explictly call `PythonPackage` and `Cargo` configure step in `CargoPythonPackage` easyblock (#3996)
+  - allow oversubscription in sanity check for OpenFOAM (#4019)
+  - allow to enable more components in Extrae (#4027)
+  - add fallback architecture for zen5 to BLIS easyblock (#4034)
+  - add LLVM support to ParaStationMPI easyblock (#4047)
+  - allow easier reuse of `compose_install_command` of `PythonPackage`, and add `%(python)s` template and default Python libdir in sanity check (#4050) 
+  - update ELPA easyblock to make it aware of NVHPC toolchain compiler (#4051)
+  - add option to allow missing or additional detected PyTorch test suites (#4052)
+  - update QuantumESPRESSO easyblock - add pretestopts + GPU test cmd (#4053)
+  - enhance `PythonPackage` and `PythonBundle` to support updating module footers for click autocompletion for specified binaries (#4056)
+- updates:
+  - update custom easyblock for FDTD-Solutions so it can be used to install Lumerical-FDTD (#3362)
+  - changes to LLVM easyblock required for LLVM 21 (#3902)
+  - update custom easyblock for Gurobi for version 13 (#4060)
+- other changes:
+  - make `CargoPythonPackage` the default class for extensions/components of `CargoPythonBundle` (#3993)
+- code cleanup: 
+  - enable flake8-comprehension code style check and fix issues (#3989)
+
 
 v5.2.0 (23 Dec 2025)
 --------------------

easybuild/__init__.py

@@ -1,5 +1,5 @@
 ##
-# Copyright 2009-2025 Ghent University
+# Copyright 2009-2026 Ghent University
 #
 # This file is part of EasyBuild,
 # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),

easybuild/easyblocks/__init__.py

@@ -1,5 +1,5 @@
 ##
-# Copyright 2009-2025 Ghent University
+# Copyright 2009-2026 Ghent University
 #
 # This file is part of EasyBuild,
 # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),
@@ -42,7 +42,7 @@
 # recent setuptools versions will *TRANSFORM* something like 'X.Y.Zdev' into 'X.Y.Z.dev0', with a warning like
 #   UserWarning: Normalizing '2.4.0dev' to '2.4.0.dev0'
 # This causes problems further up the dependency chain...
-VERSION = '5.2.0'
+VERSION = '5.2.1'
 UNKNOWN = 'UNKNOWN'
 
 

easybuild/easyblocks/a/abaqus.py

@@ -1,5 +1,5 @@
 ##
-# Copyright 2009-2025 Ghent University
+# Copyright 2009-2026 Ghent University
 #
 # This file is part of EasyBuild,
 # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),

easybuild/easyblocks/a/adf.py

@@ -1,5 +1,5 @@
 ##
-# Copyright 2016-2025 Ghent University
+# Copyright 2016-2026 Ghent University
 #
 # This file is part of EasyBuild,
 # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),

easybuild/easyblocks/a/advisor.py

@@ -1,5 +1,5 @@
 ##
-# Copyright 2009-2025 Ghent University
+# Copyright 2009-2026 Ghent University
 #
 # This file is part of EasyBuild,
 # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),

easybuild/easyblocks/a/aedt.py

@@ -1,5 +1,5 @@
 ##
-# Copyright 2009-2025 Ghent University
+# Copyright 2009-2026 Ghent University
 #
 # This file is part of EasyBuild,
 # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),

easybuild/easyblocks/a/amber.py

@@ -1,6 +1,6 @@
 ##
-# Copyright 2009-2025 Ghent University
-# Copyright 2015-2025 Stanford University
+# Copyright 2009-2026 Ghent University
+# Copyright 2015-2026 Stanford University
 #
 # This file is part of EasyBuild,
 # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),
@@ -40,9 +40,10 @@
 from easybuild.easyblocks.generic.pythonpackage import det_pylibdir
 from easybuild.framework.easyconfig import CUSTOM
 from easybuild.tools.build_log import EasyBuildError
-from easybuild.tools.modules import get_software_root
+from easybuild.tools.modules import get_software_root, get_software_version
 from easybuild.tools.run import run_shell_cmd
 from easybuild.tools.filetools import remove_dir, which
+from easybuild.tools.systemtools import get_shared_lib_ext
 
 
 class EB_Amber(CMakeMake):
@@ -164,13 +165,25 @@ def configure_step(self):
 
         pythonroot = get_software_root('Python')
         if pythonroot:
+            version = get_software_version('Python')
+            shlib_ext = get_shared_lib_ext()
             self.cfg.update('configopts', '-DDOWNLOAD_MINICONDA=FALSE')
-            self.cfg.update('configopts', '-DPYTHON_EXECUTABLE=%s' % os.path.join(pythonroot, 'bin', 'python'))
 
             self.pylibdir = det_pylibdir()
             pythonpath = os.environ.get('PYTHONPATH', '')
             env.setvar('PYTHONPATH', os.pathsep.join([os.path.join(self.installdir, self.pylibdir), pythonpath]))
 
+            # AmberTools uses the deprecated FindPythonLibs. Ensure we use the correct library and include dir
+            version_maj_min = '.'.join(version.split('.')[:2])
+            python_library = os.path.join(pythonroot, 'lib', f'libpython{version_maj_min}.{shlib_ext}')
+            python_incdir = os.path.join(pythonroot, 'include', 'python%s' % version_maj_min)
+            if not os.path.isfile(python_library):
+                raise EasyBuildError("Cannot find Python library '%s'!" % python_library)
+            if not os.path.isdir(python_incdir):
+                raise EasyBuildError("Cannot find Python include directory '%s'!" % python_incdir)
+            self.cfg.update('configopts', f'-DPYTHON_LIBRARY={python_library}')
+            self.cfg.update('configopts', f'-DPYTHON_INCLUDE_DIR={python_incdir}')
+
         if get_software_root('FFTW'):
             external_libs_list.append('fftw')
         if get_software_root('netCDF'):
@@ -343,7 +356,10 @@ def install_step(self):
                 testdir = self.builddir
                 testname_cs = 'test.cuda_serial'
                 testname_cp = 'test.cuda_parallel'
-            pretestcommands = 'source %s/amber.sh && cd %s' % (self.installdir, testdir)
+            pretestcommands = ' && '.join([
+                'export OMP_NUM_THREADS=1',  # avoid having as many threads as cores
+                'source %s/amber.sh && cd %s' % (self.installdir, testdir)
+            ])
 
             # serial tests
             if LooseVersion(self.version) >= LooseVersion('24'):

easybuild/easyblocks/a/anaconda.py

@@ -1,5 +1,5 @@
 ##
-# Copyright 2009-2025 Ghent University
+# Copyright 2009-2026 Ghent University
 #
 # This file is part of EasyBuild,
 # originally created by the HPC team of Ghent University (http://ugent.be/hpc/en),