From 2d7f6f51e764b5b07ded527856aadb10cb867daf Mon Sep 17 00:00:00 2001 From: casparl Date: Mon, 27 Feb 2023 16:14:56 +0100 Subject: [PATCH 1/7] adding easyconfigs: ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb, ELPA-2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb, ELPA-2022.05.001-intel-2022a.eb --- ...2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb | 44 +++++++++++++++++ ...ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb | 48 +++++++++++++++++++ .../e/ELPA/ELPA-2022.05.001-intel-2022a.eb | 47 ++++++++++++++++++ 3 files changed, 139 insertions(+) create mode 100644 easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb create mode 100644 easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb create mode 100644 easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-intel-2022a.eb diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb new file mode 100644 index 00000000000..7e0a330ad2e --- /dev/null +++ b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb @@ -0,0 +1,44 @@ +## +# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild +# +# Authors:: Inge Gutheil , Alan O'Cais +# 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': + '5fc40b6f3f948fd026efc688f9bafba0461d68ad007d9dc161bfd1507e2fc13b'}, +] + +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' diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb new file mode 100644 index 00000000000..60730ab1ad9 --- /dev/null +++ b/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 , Alan O'Cais +# 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': + '5fc40b6f3f948fd026efc688f9bafba0461d68ad007d9dc161bfd1507e2fc13b'}, +] + +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' diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-intel-2022a.eb b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-intel-2022a.eb new file mode 100644 index 00000000000..97e8442651a --- /dev/null +++ b/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 , Alan O'Cais +# 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': + '5fc40b6f3f948fd026efc688f9bafba0461d68ad007d9dc161bfd1507e2fc13b'}, +] + +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' From 8ae93a961ac188389805ba9eeaa3af19e6d1628c Mon Sep 17 00:00:00 2001 From: casparl Date: Mon, 27 Feb 2023 16:17:48 +0100 Subject: [PATCH 2/7] forgot to include this patch --- ...-2022.05.001_fix_hardcoded_perl_path.patch | 40 +++++++++++++++++++ 1 file changed, 40 insertions(+) create mode 100644 easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001_fix_hardcoded_perl_path.patch diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001_fix_hardcoded_perl_path.patch b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001_fix_hardcoded_perl_path.patch new file mode 100644 index 00000000000..5c7ae5eae05 --- /dev/null +++ b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001_fix_hardcoded_perl_path.patch @@ -0,0 +1,40 @@ +--- 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; + From d68d83d387a8aba1fb54a74829680ebe620e8ce2 Mon Sep 17 00:00:00 2001 From: casparl Date: Mon, 27 Feb 2023 16:52:42 +0100 Subject: [PATCH 3/7] Style fix --- .../e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb index 60730ab1ad9..fd14ce9b899 100644 --- a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb +++ b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb @@ -33,7 +33,7 @@ builddependencies = [ ] dependencies = [ - ('CUDA', '11.7.0', '', SYSTEM) + ('CUDA', '11.7.0', '', SYSTEM) ] preconfigopts = './autogen.sh && ' From fe6351898e34c1fb11b78b8096bec5ea23dacf0e Mon Sep 17 00:00:00 2001 From: casparl Date: Mon, 27 Feb 2023 17:12:40 +0100 Subject: [PATCH 4/7] Included patch description --- .../e/ELPA/ELPA-2022.05.001_fix_hardcoded_perl_path.patch | 3 +++ 1 file changed, 3 insertions(+) diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001_fix_hardcoded_perl_path.patch b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001_fix_hardcoded_perl_path.patch index 5c7ae5eae05..3bc5bbcd3c3 100644 --- a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001_fix_hardcoded_perl_path.patch +++ b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001_fix_hardcoded_perl_path.patch @@ -1,3 +1,6 @@ +# 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 @@ From 09b5f94f4ecaaf162e0f42ecabe429d4e8bd161b Mon Sep 17 00:00:00 2001 From: casparl Date: Mon, 27 Feb 2023 18:28:45 +0100 Subject: [PATCH 5/7] Added non-cuda EasyConfig, now removed the versionsuffix --- .../e/ELPA/ELPA-2022.05.001-foss-2022a.eb | 43 +++++++++++++++++++ 1 file changed, 43 insertions(+) create mode 100644 easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a.eb diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a.eb b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a.eb new file mode 100644 index 00000000000..dc1830407b1 --- /dev/null +++ b/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 , Alan O'Cais +# 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': + '5fc40b6f3f948fd026efc688f9bafba0461d68ad007d9dc161bfd1507e2fc13b'}, +] + +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' From 4f37b70c0d7c8961629cffd50d926543b6833a74 Mon Sep 17 00:00:00 2001 From: casparl Date: Mon, 27 Feb 2023 18:30:54 +0100 Subject: [PATCH 6/7] Fixed checksums for patch after adding comment there --- .../e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb | 2 +- easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a.eb | 2 +- easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-intel-2022a.eb | 2 +- 3 files changed, 3 insertions(+), 3 deletions(-) diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb index fd14ce9b899..6d9cb0dca9b 100644 --- a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb +++ b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-11.7.0.eb @@ -22,7 +22,7 @@ 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': - '5fc40b6f3f948fd026efc688f9bafba0461d68ad007d9dc161bfd1507e2fc13b'}, + '1666a133393b3947a80069ae170a51f4d574956f384c01b7018e4b551726a3a2'}, ] builddependencies = [ diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a.eb b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a.eb index dc1830407b1..54a1ab0f515 100644 --- a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a.eb +++ b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a.eb @@ -21,7 +21,7 @@ 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': - '5fc40b6f3f948fd026efc688f9bafba0461d68ad007d9dc161bfd1507e2fc13b'}, + '1666a133393b3947a80069ae170a51f4d574956f384c01b7018e4b551726a3a2'}, ] builddependencies = [ diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-intel-2022a.eb b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-intel-2022a.eb index 97e8442651a..6af27dad529 100644 --- a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-intel-2022a.eb +++ b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-intel-2022a.eb @@ -21,7 +21,7 @@ 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': - '5fc40b6f3f948fd026efc688f9bafba0461d68ad007d9dc161bfd1507e2fc13b'}, + '1666a133393b3947a80069ae170a51f4d574956f384c01b7018e4b551726a3a2'}, ] builddependencies = [ From c15b7c058e37052e45711382e937922fd8bb9c5b Mon Sep 17 00:00:00 2001 From: Caspar van Leeuwen <33718780+casparvl@users.noreply.github.com> Date: Mon, 27 Feb 2023 18:31:33 +0100 Subject: [PATCH 7/7] Delete ELPA-2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb --- ...2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb | 44 ------------------- 1 file changed, 44 deletions(-) delete mode 100644 easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb diff --git a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb b/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb deleted file mode 100644 index 7e0a330ad2e..00000000000 --- a/easybuild/easyconfigs/e/ELPA/ELPA-2022.05.001-foss-2022a-CUDA-%(cudaver)s.eb +++ /dev/null @@ -1,44 +0,0 @@ -## -# This file is an EasyBuild reciPY as per https://github.com/easybuilders/easybuild -# -# Authors:: Inge Gutheil , Alan O'Cais -# 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': - '5fc40b6f3f948fd026efc688f9bafba0461d68ad007d9dc161bfd1507e2fc13b'}, -] - -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'