{math}[foss/2022a] ELPA v2022.05.001

easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb

@@ -0,0 +1,48 @@
+##
+# 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 = '2022.05.001'
+versionsuffix = '-CUDA-%(cudaver)s'
+
+homepage = 'https://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications."""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+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']
+checksums = [
+    {'elpa-new_release_2022.05.001.tar.gz': '96ff14abe53cc3652ba290a0e309d238147fbbfe054d783efee9890f5f23802d'},
+    {'ELPA-2022.05.001_fix_hardcoded_perl_path.patch':
+     '1666a133393b3947a80069ae170a51f4d574956f384c01b7018e4b551726a3a2'},
+]
+
+builddependencies = [
+    ('Autotools', '20220317'),
+    # remove_xcompiler script requires 'python' command,
+    ('Python', '3.10.4'),
+    ('Perl', '5.34.1'),
+]
+
+dependencies = [
+    ('CUDA', '11.7.0', '', SYSTEM)
+]
+
+preconfigopts = './autogen.sh && '
+preconfigopts += 'export LDFLAGS="-lm $LDFLAGS" && '
+preconfigopts += 'autoreconf && '
+
+# 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'

easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a.eb

@@ -0,0 +1,43 @@
+##
+# 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 = '2022.05.001'
+
+homepage = 'https://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications."""
+
+toolchain = {'name': 'foss', 'version': '2022a'}
+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']
+checksums = [
+    {'elpa-new_release_2022.05.001.tar.gz': '96ff14abe53cc3652ba290a0e309d238147fbbfe054d783efee9890f5f23802d'},
+    {'ELPA-2022.05.001_fix_hardcoded_perl_path.patch':
+     '1666a133393b3947a80069ae170a51f4d574956f384c01b7018e4b551726a3a2'},
+]
+
+builddependencies = [
+    ('Autotools', '20220317'),
+    # remove_xcompiler script requires 'python' command,
+    ('Python', '3.10.4'),
+    ('Perl', '5.34.1'),
+]
+
+preconfigopts = './autogen.sh && '
+preconfigopts += 'export LDFLAGS="-lm $LDFLAGS" && '
+preconfigopts += 'autoreconf && '
+
+# 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'

easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-intel-2022a.eb

@@ -0,0 +1,47 @@
+##
+# 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 = '2022.05.001'
+
+homepage = 'https://elpa.rzg.mpg.de'
+description = """Eigenvalue SoLvers for Petaflop-Applications."""
+
+toolchain = {'name': 'intel', 'version': '2022a'}
+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']
+checksums = [
+    {'elpa-new_release_2022.05.001.tar.gz': '96ff14abe53cc3652ba290a0e309d238147fbbfe054d783efee9890f5f23802d'},
+    {'ELPA-2022.05.001_fix_hardcoded_perl_path.patch':
+     '1666a133393b3947a80069ae170a51f4d574956f384c01b7018e4b551726a3a2'},
+]
+
+builddependencies = [
+    ('Autotools', '20220317'),
+    # remove_xcompiler script requires 'python' command,
+    ('Python', '3.10.4'),
+    ('Perl', '5.34.1'),
+]
+
+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'

easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001_fix_hardcoded_perl_path.patch

@@ -0,0 +1,43 @@
+# Perl scripts in elpa hard-code the location of the perl interpreter
+# We replace these so that it picks up on the perl interpreter from the PATH
+# (i.e. the one provided as a build dependency by EasyBuild)
+--- elpa-new_release_2021.11.001/test_project_1stage/fdep/fortran_dependencies.pl	2021-12-17 08:20:49.000000000 +0100
++++ elpa-new_release_2021.11.001_ok/test_project_1stage/fdep/fortran_dependencies.pl	2022-01-25 17:07:21.169362000 +0100
+@@ -1,4 +1,4 @@
+-#!/usr/bin/perl -w
++#!/usr/bin/env perl
+
+ use strict;
+
+--- elpa-new_release_2021.11.001/fdep/fortran_dependencies.pl	2021-12-17 08:20:49.000000000 +0100
++++ elpa-new_release_2021.11.001_ok/fdep/fortran_dependencies.pl	2022-01-25 17:08:17.272544000 +0100
+@@ -1,4 +1,4 @@
+-#!/usr/bin/perl -w
++#!/usr/bin/env perl
+ #
+ # Copyright 2015 Lorenz Hüdepohl
+ #
+--- elpa-new_release_2021.11.001/test_project_C_2stage/fdep/fortran_dependencies.pl	2021-12-17 08:20:49.000000000 +0100
++++ elpa-new_release_2021.11.001_ok/test_project_C_2stage/fdep/fortran_dependencies.pl	2022-01-25 17:06:20.088471000 +0100
+@@ -1,4 +1,4 @@
+-#!/usr/bin/perl -w
++#!/usr/bin/env perl
+
+ use strict;
+
+--- elpa-new_release_2021.11.001/test_project_2stage/fdep/fortran_dependencies.pl	2021-12-17 08:20:49.000000000 +0100
++++ elpa-new_release_2021.11.001_ok/test_project_2stage/fdep/fortran_dependencies.pl	2022-01-25 17:05:10.675886000 +0100
+@@ -1,4 +1,4 @@
+-#!/usr/bin/perl -w
++#!/usr/bin/env perl
+
+ use strict;
+
+--- elpa-new_release_2021.11.001/test_project_C/fdep/fortran_dependencies.pl	2021-12-17 08:20:49.000000000 +0100
++++ elpa-new_release_2021.11.001_ok/test_project_C/fdep/fortran_dependencies.pl	2022-01-25 17:04:14.834326000 +0100
+@@ -1,4 +1,4 @@
+-#!/usr/bin/perl -w
++#!/usr/bin/env perl
+
+ use strict;
+