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{bio}[foss/2023b] Parsnp v2.1.1 #22027

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akesandgren
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(created using eb --new-pr)

…1.1_fix_configure_search_for_libMUSCLE.patch
@akesandgren
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@boegelbot Please test @ jsc-zen3

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@akesandgren: 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=22027 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22027 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5436

Test results coming soon (I hope)...

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Test report by @boegelbot
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.19
See https://gist.github.com/boegelbot/e69f836705c763a004592a4f573f48d5 for a full test report.

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Test report by @verdurin
SUCCESS
Build succeeded for 1 out of 1 (1 easyconfigs in total)
easybuild-el8.cloud.in.bmrc.ox.ac.uk - Linux Rocky Linux 8.10, x86_64, Intel Xeon Processor (Skylake, IBRS), Python 3.6.8
See https://gist.github.com/verdurin/62ff4af85669eeeb2c9956ebf53df7a9 for a full test report.

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@akesandgren I was looking at this one - doesn't it also require Harvest-tools?
Cf. https://github.com/marbl/parsnp/blob/master/README.md/#building-from-source

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@akesandgren I was looking at this one - doesn't it also require Harvest-tools? Cf. https://github.com/marbl/parsnp/blob/master/README.md/#building-from-source

Yeah, I missed that, and some other things... fixing

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Updated software FastANI-1.34-GCC-13.2.0.eb

Diff against FastANI-1.34-GCC-12.3.0.eb

easybuild/easyconfigs/f/FastANI/FastANI-1.34-GCC-12.3.0.eb

diff --git a/easybuild/easyconfigs/f/FastANI/FastANI-1.34-GCC-12.3.0.eb b/easybuild/easyconfigs/f/FastANI/FastANI-1.34-GCC-13.2.0.eb
index 53a457447e..73ffad70a8 100644
--- a/easybuild/easyconfigs/f/FastANI/FastANI-1.34-GCC-12.3.0.eb
+++ b/easybuild/easyconfigs/f/FastANI/FastANI-1.34-GCC-13.2.0.eb
@@ -16,7 +16,7 @@ description = """FastANI is developed for fast alignment-free computation of
  genomes. FastANI supports pairwise comparison of both complete and draft
  genome assemblies."""
 
-toolchain = {'name': 'GCC', 'version': '12.3.0'}
+toolchain = {'name': 'GCC', 'version': '13.2.0'}
 
 source_urls = ['https://github.com/ParBLiSS/FastANI/archive']
 sources = ['v%(version)s.zip']
Diff against FastANI-1.33-GCC-11.3.0.eb

easybuild/easyconfigs/f/FastANI/FastANI-1.33-GCC-11.3.0.eb

diff --git a/easybuild/easyconfigs/f/FastANI/FastANI-1.33-GCC-11.3.0.eb b/easybuild/easyconfigs/f/FastANI/FastANI-1.34-GCC-13.2.0.eb
index 67c94db472..73ffad70a8 100644
--- a/easybuild/easyconfigs/f/FastANI/FastANI-1.33-GCC-11.3.0.eb
+++ b/easybuild/easyconfigs/f/FastANI/FastANI-1.34-GCC-13.2.0.eb
@@ -7,7 +7,7 @@
 easyblock = 'ConfigureMake'
 
 name = 'FastANI'
-version = '1.33'
+version = '1.34'
 
 homepage = "https://github.com/ParBLiSS/FastANI"
 description = """FastANI is developed for fast alignment-free computation of
@@ -16,21 +16,21 @@ description = """FastANI is developed for fast alignment-free computation of
  genomes. FastANI supports pairwise comparison of both complete and draft
  genome assemblies."""
 
-toolchain = {'name': 'GCC', 'version': '11.3.0'}
+toolchain = {'name': 'GCC', 'version': '13.2.0'}
 
 source_urls = ['https://github.com/ParBLiSS/FastANI/archive']
 sources = ['v%(version)s.zip']
 patches = ['FastANI-1.2-memcpy.patch']
 checksums = [
-    'fb392ffa3c7942091a06de05c56c8e250523723c39da65ae8f245e65e440a74b',  # v1.33.zip
-    'eebcf0b64c31ee360ca79136f644157064ac69747ed13cff70f5c9932c6bb0d5',  # FastANI-1.2-memcpy.patch
+    {'v1.34.zip': 'cb15540634c725cb46dded7becaff38b27a7f709c0a8589db986674effcc6180'},
+    {'FastANI-1.2-memcpy.patch': 'eebcf0b64c31ee360ca79136f644157064ac69747ed13cff70f5c9932c6bb0d5'},
 ]
 
 builddependencies = [('Autotools', '20220317')]
 
 dependencies = [
     ('GSL', '2.7'),
-    ('zlib', '1.2.12'),
+    ('zlib', '1.2.13'),
 ]
 
 preconfigopts = 'autoconf && '
Diff against FastANI-1.33-intel-compilers-2021.4.0.eb

easybuild/easyconfigs/f/FastANI/FastANI-1.33-intel-compilers-2021.4.0.eb

diff --git a/easybuild/easyconfigs/f/FastANI/FastANI-1.33-intel-compilers-2021.4.0.eb b/easybuild/easyconfigs/f/FastANI/FastANI-1.34-GCC-13.2.0.eb
index eee713c573..73ffad70a8 100644
--- a/easybuild/easyconfigs/f/FastANI/FastANI-1.33-intel-compilers-2021.4.0.eb
+++ b/easybuild/easyconfigs/f/FastANI/FastANI-1.34-GCC-13.2.0.eb
@@ -7,7 +7,7 @@
 easyblock = 'ConfigureMake'
 
 name = 'FastANI'
-version = '1.33'
+version = '1.34'
 
 homepage = "https://github.com/ParBLiSS/FastANI"
 description = """FastANI is developed for fast alignment-free computation of
@@ -16,21 +16,21 @@ description = """FastANI is developed for fast alignment-free computation of
  genomes. FastANI supports pairwise comparison of both complete and draft
  genome assemblies."""
 
-toolchain = {'name': 'intel-compilers', 'version': '2021.4.0'}
+toolchain = {'name': 'GCC', 'version': '13.2.0'}
 
 source_urls = ['https://github.com/ParBLiSS/FastANI/archive']
 sources = ['v%(version)s.zip']
 patches = ['FastANI-1.2-memcpy.patch']
 checksums = [
-    'fb392ffa3c7942091a06de05c56c8e250523723c39da65ae8f245e65e440a74b',  # v1.33.zip
-    'eebcf0b64c31ee360ca79136f644157064ac69747ed13cff70f5c9932c6bb0d5',  # FastANI-1.2-memcpy.patch
+    {'v1.34.zip': 'cb15540634c725cb46dded7becaff38b27a7f709c0a8589db986674effcc6180'},
+    {'FastANI-1.2-memcpy.patch': 'eebcf0b64c31ee360ca79136f644157064ac69747ed13cff70f5c9932c6bb0d5'},
 ]
 
-builddependencies = [('Autotools', '20210726')]
+builddependencies = [('Autotools', '20220317')]
 
 dependencies = [
     ('GSL', '2.7'),
-    ('zlib', '1.2.11'),
+    ('zlib', '1.2.13'),
 ]
 
 preconfigopts = 'autoconf && '

Updated software PhiPack-2016.06.14-GCC-13.2.0.eb

Diff against PhiPack-2016.06.14-iccifort-2019.1.144-GCC-8.2.0-2.31.1.eb

easybuild/easyconfigs/p/PhiPack/PhiPack-2016.06.14-iccifort-2019.1.144-GCC-8.2.0-2.31.1.eb

diff --git a/easybuild/easyconfigs/p/PhiPack/PhiPack-2016.06.14-iccifort-2019.1.144-GCC-8.2.0-2.31.1.eb b/easybuild/easyconfigs/p/PhiPack/PhiPack-2016.06.14-GCC-13.2.0.eb
index 688f3bf81f..b4320c8b0b 100644
--- a/easybuild/easyconfigs/p/PhiPack/PhiPack-2016.06.14-iccifort-2019.1.144-GCC-8.2.0-2.31.1.eb
+++ b/easybuild/easyconfigs/p/PhiPack/PhiPack-2016.06.14-GCC-13.2.0.eb
@@ -18,7 +18,7 @@ docurls = ["http://www.maths.otago.ac.nz/~dbryant/software/phimanual.pdf"]
 software_license = "LicenseGPLv3"
 software_license_urls = ['https://www.gnu.org/licenses/lgpl-3.0.en.html']
 
-toolchain = {'name': 'iccifort', 'version': '2019.1.144-GCC-8.2.0-2.31.1'}
+toolchain = {'name': 'GCC', 'version': '13.2.0'}
 
 source_urls = ['http://www.maths.otago.ac.nz/~dbryant/software/']
 sources = [{'download_filename': 'PhiPack.tar.gz', 'filename': SOURCE_TAR_GZ}]
@@ -33,6 +33,7 @@ sanity_check_paths = {
     'files': ['bin/Phi', 'bin/Profile', 'bin/ppma_2_bmp'],
     'dirs': [],
 }
+
 sanity_check_commands = ["Phi -f %(builddir)s/%(name)s/noro.fasta"]
 
 moduleclass = 'math'

Updated software RAxML-8.2.13-gompi-2023b-avx2.eb

Diff against RAxML-8.2.12-gompi-2022b-avx2.eb

easybuild/easyconfigs/r/RAxML/RAxML-8.2.12-gompi-2022b-avx2.eb

diff --git a/easybuild/easyconfigs/r/RAxML/RAxML-8.2.12-gompi-2022b-avx2.eb b/easybuild/easyconfigs/r/RAxML/RAxML-8.2.13-gompi-2023b-avx2.eb
index 8b13f18b2d..35faf662fe 100644
--- a/easybuild/easyconfigs/r/RAxML/RAxML-8.2.12-gompi-2022b-avx2.eb
+++ b/easybuild/easyconfigs/r/RAxML/RAxML-8.2.13-gompi-2023b-avx2.eb
@@ -1,18 +1,18 @@
 easyblock = 'MakeCp'
 
 name = 'RAxML'
-version = '8.2.12'
+version = '8.2.13'
 versionsuffix = '-avx2'
 
 homepage = 'https://github.com/stamatak/standard-RAxML'
 description = "RAxML search algorithm for maximum likelihood based inference of phylogenetic trees."
 
-toolchain = {'name': 'gompi', 'version': '2022b'}
+toolchain = {'name': 'gompi', 'version': '2023b'}
 toolchainopts = {'usempi': True}
 
 source_urls = ['https://github.com/stamatak/standard-RAxML/archive/']
-sources = ['v%(version)s.zip']
-checksums = ['abe6978c6027e897ebed67066836e4eadd57ecd0d042045634424dd001e86105']
+sources = ['v%(version)s.tar.gz']
+checksums = ['28e500793324bd7d330b396ef27ea49c9186fa5e1edb3d5439036dc6c33e6067']
 
 buildopts = '-f Makefile.AVX2.gcc CC="$CC" && rm *.o && '
 buildopts += 'make -j %(parallel)s -f Makefile.AVX2.PTHREADS.gcc CC="$CC" && rm *.o && '
@@ -20,13 +20,17 @@ buildopts += 'make -j %(parallel)s -f Makefile.AVX2.HYBRID.gcc CC="$CC"'
 
 files_to_copy = [
     (["raxmlHPC-AVX2", "raxmlHPC-PTHREADS-AVX2", "raxmlHPC-HYBRID-AVX2"], "bin"),
-    "usefulScripts", "README", "manual"
+    "usefulScripts", "README.md", "manual",
 ]
 
-postinstallcmds = ["cd %(installdir)s/bin && ln -s raxmlHPC-AVX2 raxmlHPC"]
+postinstallcmds = [
+    "ln -s raxmlHPC-AVX2 %(installdir)s/bin/raxmlHPC",
+    "ln -s raxmlHPC-PTHREADS-AVX2 %(installdir)s/bin/raxmlHPC-PTHREADS",
+    "ln -s raxmlHPC-HYBRID-AVX2 %(installdir)s/bin/raxmlHPC-HYBRID",
+]
 
 sanity_check_paths = {
-    'files': ['bin/raxmlHPC'],
+    'files': ['bin/raxmlHPC%s' % x for x in ['', '-PTHREADS', '-HYBRID']],
     'dirs': [],
 }
 
Diff against RAxML-8.2.12-gompi-2021b-hybrid-avx2.eb

easybuild/easyconfigs/r/RAxML/RAxML-8.2.12-gompi-2021b-hybrid-avx2.eb

diff --git a/easybuild/easyconfigs/r/RAxML/RAxML-8.2.12-gompi-2021b-hybrid-avx2.eb b/easybuild/easyconfigs/r/RAxML/RAxML-8.2.13-gompi-2023b-avx2.eb
index 7be898198d..35faf662fe 100644
--- a/easybuild/easyconfigs/r/RAxML/RAxML-8.2.12-gompi-2021b-hybrid-avx2.eb
+++ b/easybuild/easyconfigs/r/RAxML/RAxML-8.2.13-gompi-2023b-avx2.eb
@@ -1,27 +1,36 @@
 easyblock = 'MakeCp'
 
 name = 'RAxML'
-version = '8.2.12'
-versionsuffix = '-hybrid-avx2'
+version = '8.2.13'
+versionsuffix = '-avx2'
 
 homepage = 'https://github.com/stamatak/standard-RAxML'
 description = "RAxML search algorithm for maximum likelihood based inference of phylogenetic trees."
 
-toolchain = {'name': 'gompi', 'version': '2021b'}
+toolchain = {'name': 'gompi', 'version': '2023b'}
 toolchainopts = {'usempi': True}
 
 source_urls = ['https://github.com/stamatak/standard-RAxML/archive/']
-sources = ['v%(version)s.zip']
-checksums = ['abe6978c6027e897ebed67066836e4eadd57ecd0d042045634424dd001e86105']
+sources = ['v%(version)s.tar.gz']
+checksums = ['28e500793324bd7d330b396ef27ea49c9186fa5e1edb3d5439036dc6c33e6067']
 
-buildopts = '-f Makefile.AVX2.HYBRID.gcc CC="$CC"'
+buildopts = '-f Makefile.AVX2.gcc CC="$CC" && rm *.o && '
+buildopts += 'make -j %(parallel)s -f Makefile.AVX2.PTHREADS.gcc CC="$CC" && rm *.o && '
+buildopts += 'make -j %(parallel)s -f Makefile.AVX2.HYBRID.gcc CC="$CC"'
 
-files_to_copy = [(["raxmlHPC-HYBRID-AVX2"], "bin"), "usefulScripts", "README", "manual"]
+files_to_copy = [
+    (["raxmlHPC-AVX2", "raxmlHPC-PTHREADS-AVX2", "raxmlHPC-HYBRID-AVX2"], "bin"),
+    "usefulScripts", "README.md", "manual",
+]
 
-postinstallcmds = ["cd %(installdir)s/bin && ln -s raxmlHPC-HYBRID-AVX2 raxmlHPC"]
+postinstallcmds = [
+    "ln -s raxmlHPC-AVX2 %(installdir)s/bin/raxmlHPC",
+    "ln -s raxmlHPC-PTHREADS-AVX2 %(installdir)s/bin/raxmlHPC-PTHREADS",
+    "ln -s raxmlHPC-HYBRID-AVX2 %(installdir)s/bin/raxmlHPC-HYBRID",
+]
 
 sanity_check_paths = {
-    'files': ['bin/raxmlHPC'],
+    'files': ['bin/raxmlHPC%s' % x for x in ['', '-PTHREADS', '-HYBRID']],
     'dirs': [],
 }
 
Diff against RAxML-8.2.12-gompi-2021a-hybrid-avx2.eb

easybuild/easyconfigs/r/RAxML/RAxML-8.2.12-gompi-2021a-hybrid-avx2.eb

diff --git a/easybuild/easyconfigs/r/RAxML/RAxML-8.2.12-gompi-2021a-hybrid-avx2.eb b/easybuild/easyconfigs/r/RAxML/RAxML-8.2.13-gompi-2023b-avx2.eb
index bcf227398b..35faf662fe 100644
--- a/easybuild/easyconfigs/r/RAxML/RAxML-8.2.12-gompi-2021a-hybrid-avx2.eb
+++ b/easybuild/easyconfigs/r/RAxML/RAxML-8.2.13-gompi-2023b-avx2.eb
@@ -1,27 +1,36 @@
 easyblock = 'MakeCp'
 
 name = 'RAxML'
-version = '8.2.12'
-versionsuffix = '-hybrid-avx2'
+version = '8.2.13'
+versionsuffix = '-avx2'
 
 homepage = 'https://github.com/stamatak/standard-RAxML'
 description = "RAxML search algorithm for maximum likelihood based inference of phylogenetic trees."
 
-toolchain = {'name': 'gompi', 'version': '2021a'}
+toolchain = {'name': 'gompi', 'version': '2023b'}
 toolchainopts = {'usempi': True}
 
 source_urls = ['https://github.com/stamatak/standard-RAxML/archive/']
-sources = ['v%(version)s.zip']
-checksums = ['abe6978c6027e897ebed67066836e4eadd57ecd0d042045634424dd001e86105']
+sources = ['v%(version)s.tar.gz']
+checksums = ['28e500793324bd7d330b396ef27ea49c9186fa5e1edb3d5439036dc6c33e6067']
 
-buildopts = '-f Makefile.AVX2.HYBRID.gcc CC="$CC"'
+buildopts = '-f Makefile.AVX2.gcc CC="$CC" && rm *.o && '
+buildopts += 'make -j %(parallel)s -f Makefile.AVX2.PTHREADS.gcc CC="$CC" && rm *.o && '
+buildopts += 'make -j %(parallel)s -f Makefile.AVX2.HYBRID.gcc CC="$CC"'
 
-files_to_copy = [(["raxmlHPC-HYBRID-AVX2"], "bin"), "usefulScripts", "README", "manual"]
+files_to_copy = [
+    (["raxmlHPC-AVX2", "raxmlHPC-PTHREADS-AVX2", "raxmlHPC-HYBRID-AVX2"], "bin"),
+    "usefulScripts", "README.md", "manual",
+]
 
-postinstallcmds = ["cd %(installdir)s/bin && ln -s raxmlHPC-HYBRID-AVX2 raxmlHPC"]
+postinstallcmds = [
+    "ln -s raxmlHPC-AVX2 %(installdir)s/bin/raxmlHPC",
+    "ln -s raxmlHPC-PTHREADS-AVX2 %(installdir)s/bin/raxmlHPC-PTHREADS",
+    "ln -s raxmlHPC-HYBRID-AVX2 %(installdir)s/bin/raxmlHPC-HYBRID",
+]
 
 sanity_check_paths = {
-    'files': ['bin/raxmlHPC'],
+    'files': ['bin/raxmlHPC%s' % x for x in ['', '-PTHREADS', '-HYBRID']],
     'dirs': [],
 }
 

@akesandgren
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@boegelbot Please test @ jsc-zen3

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@akesandgren: 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=22027 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22027 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 5450

Test results coming soon (I hope)...

- notification for comment with ID 2547673594 processed

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it is of no use to you (unless you think I have a bug, which I don't).

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Test report by @boegelbot
SUCCESS
Build succeeded for 5 out of 5 (5 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.5, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.19
See https://gist.github.com/boegelbot/22a38d92dcd20ba91e13b5919cdf958d for a full test report.

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@verdurin how about now?

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Test report by @verdurin
SUCCESS
Build succeeded for 10 out of 10 (5 easyconfigs in total)
easybuild-el8.cloud.in.bmrc.ox.ac.uk - Linux Rocky Linux 8.10, x86_64, Intel Xeon Processor (Skylake, IBRS), Python 3.6.8
See https://gist.github.com/verdurin/8ebe45672006804aea9a908407944fb3 for a full test report.

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@boegelbot please test @ generoso

@verdurin verdurin added this to the release after 4.9.4 milestone Dec 17, 2024
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Looks fine.

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@verdurin: Request for testing this PR well received on login1

PR test command 'EB_PR=22027 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_22027 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 14875

Test results coming soon (I hope)...

- notification for comment with ID 2547964394 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).

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Test report by @boegelbot
SUCCESS
Build succeeded for 5 out of 5 (5 easyconfigs in total)
cns1 - Linux Rocky Linux 8.9, x86_64, Intel(R) Xeon(R) CPU E5-2667 v3 @ 3.20GHz (haswell), Python 3.6.8
See https://gist.github.com/boegelbot/cd789635c7331fe9c9e3e5ed61811b0f for a full test report.

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Going in, thanks @akesandgren!

@verdurin verdurin merged commit c434a59 into easybuilders:develop Dec 17, 2024
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@akesandgren akesandgren deleted the 20241213164448_new_pr_Parsnp211 branch December 17, 2024 11:33
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