Merge pull request easybuilders#18897 from schiotz/20231001162032_new…

…_pr_ELPA202305001

{math}[intel/2023a] ELPA v2023.05.001

easybuild/easyconfigs/e/ELPA/ELPA-2023.05.001-intel-2023a.eb

@@ -0,0 +1,53 @@
+##
+# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild
+#
+# Authors::   Inge Gutheil <[email protected]>, Alan O'Cais <[email protected]>
+# License::   MIT/GPL
+#
+##
+
+name = 'ELPA'
+version = '2023.05.001'
+
+homepage = 'https://elpa.mpcdf.mpg.de/'
+description = """Eigenvalue SoLvers for Petaflop-Applications."""
+
+toolchain = {'name': 'intel', 'version': '2023a'}
+toolchainopts = {'openmp': True, 'usempi': True}
+
+source_urls = ['https://gitlab.mpcdf.mpg.de/elpa/elpa/-/archive/new_release_%(version)s/']
+sources = ['elpa-new_release_%(version)s.tar.gz']
+patches = [
+    '%(name)s-%(version)s_fix_hardcoded_perl_path.patch',
+    '%(name)s-%(version)s_fix_AVX512_support.patch',
+]
+checksums = [
+    {'%(namelower)s-new_release_%(version)s.tar.gz':
+     '7e07ca287ab07c0a73d97df71d5a5431c847b8e4d5c759aae99e12672e6decf3'},
+    {'%(name)s-%(version)s_fix_hardcoded_perl_path.patch':
+     '0548105065777a2ed07dde306636251c4f96e555a801647564de37d1ddd7b0b5'},
+    {'%(name)s-%(version)s_fix_AVX512_support.patch':
+     'ecf08b64fe1da432a218040fa45d4ecfbb3269d58cb018b12da5a2d854bf96be'},
+]
+
+builddependencies = [
+    ('Autotools', '20220317'),
+    # remove_xcompiler script requires 'python' command,
+    ('Python', '3.11.3'),
+    ('Perl', '5.36.1'),
+]
+
+preconfigopts = './autogen.sh && '
+preconfigopts += 'export LDFLAGS="-lm $LDFLAGS" && '
+preconfigopts += 'autoreconf && '
+# If the build is running in a batch job, make sure Intel libmpi does
+# not try to use Slurm to run the MPI_THREAD test code that ELPA's
+# configure is running without "mpirun".
+preconfigopts += 'unset SLURM_JOBID && unset SLURM_NODELIST && unset I_MPI_PMI_LIBRARY && '
+
+# When building in parallel, the file test_setup_mpi.mod is sometimes
+# used before it is built, leading to an error.  This must be a bug in
+# the makefile affecting parallel builds.
+maxparallel = 1
+
+moduleclass = 'math'