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{vis}[GCC/12.3.0,GCC/13.2.0,GCCcore/13.2.0] wxMacMolPlt v7.7.3 w/ egl#22187

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akesandgren merged 6 commits intoeasybuilders:developfrom
sassy-crick:20250120222619_new_pr_glew220
Aug 18, 2025
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{vis}[GCC/12.3.0,GCC/13.2.0,GCCcore/13.2.0] wxMacMolPlt v7.7.3 w/ egl#22187
akesandgren merged 6 commits intoeasybuilders:developfrom
sassy-crick:20250120222619_new_pr_glew220

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@sassy-crick
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(created using eb --new-pr)

….3-GCC-12.3.0.eb, wxMacMolPlt-7.7.3-GCC-13.2.0.eb
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github-actions Bot commented Jan 20, 2025

Updated software wxMacMolPlt-7.7.3-GCC-12.3.0.eb

Diff against wxMacMolPlt-7.7.3-GCC-13.2.0.eb

easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-13.2.0.eb

diff --git a/easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-13.2.0.eb b/easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-12.3.0.eb
index 79f1e9dfb9..e4f38ef0ca 100644
--- a/easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-13.2.0.eb
+++ b/easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-12.3.0.eb
@@ -13,7 +13,7 @@ the GAMESS quantum chemistry package. Features include a graphical molecule
 builder, GAMESS input generation, animation of output and visualization of
 molecules, normal modes, orbitals and other properties."""
 
-toolchain = {'name': 'GCC', 'version': '13.2.0'}
+toolchain = {'name': 'GCC', 'version': '12.3.0'}
 
 sources = [{
     'source_urls': ['https://uofi.box.com/shared/static'],
@@ -23,11 +23,11 @@ sources = [{
 checksums = ['3496ce625819879394357687fce3170649ecc3157efe9a5fac96f9e49bd94f38']
 
 builddependencies = [
-    ('pkgconf', '2.0.3'),
+    ('pkgconf', '1.9.5'),
 ]
 
 dependencies = [
-    ('wxWidgets', '3.2.6'),
+    ('wxWidgets', '3.2.2.1'),
     ('glew', '2.2.0', '-egl'),
 ]
 

Updated software wxMacMolPlt-7.7.3-GCC-13.2.0.eb

Diff against wxMacMolPlt-7.7.3-GCC-12.3.0.eb

easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-12.3.0.eb

diff --git a/easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-12.3.0.eb b/easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-13.2.0.eb
index e4f38ef0ca..79f1e9dfb9 100644
--- a/easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-12.3.0.eb
+++ b/easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-13.2.0.eb
@@ -13,7 +13,7 @@ the GAMESS quantum chemistry package. Features include a graphical molecule
 builder, GAMESS input generation, animation of output and visualization of
 molecules, normal modes, orbitals and other properties."""
 
-toolchain = {'name': 'GCC', 'version': '12.3.0'}
+toolchain = {'name': 'GCC', 'version': '13.2.0'}
 
 sources = [{
     'source_urls': ['https://uofi.box.com/shared/static'],
@@ -23,11 +23,11 @@ sources = [{
 checksums = ['3496ce625819879394357687fce3170649ecc3157efe9a5fac96f9e49bd94f38']
 
 builddependencies = [
-    ('pkgconf', '1.9.5'),
+    ('pkgconf', '2.0.3'),
 ]
 
 dependencies = [
-    ('wxWidgets', '3.2.2.1'),
+    ('wxWidgets', '3.2.6'),
     ('glew', '2.2.0', '-egl'),
 ]
 

@sassy-crick
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@boegelbot please test @ generoso

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@sassy-crick: Request for testing this PR well received on login1

PR test command 'EB_PR=22187 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs /opt/software/slurm/bin/sbatch --job-name test_PR_22187 --ntasks=4 ~/boegelbot/eb_from_pr_upload_generoso.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 14955

Test results coming soon (I hope)...

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- notification for comment with ID 2603335717 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 3 out of 3 (3 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/9b13d2b05be6bc569bafff0b2896d0af for a full test report.

@sassy-crick
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I am a bit unsure whether OSMESA or EGL would be the better option for a cluster installation. Trying it out with EGL I get this error message when accessing the cluster via ssh:

$ wxmacmolplt 
libEGL warning: DRI3: failed to query the version
libEGL warning: DRI2: failed to authenticate

(wxmacmolplt:3098728): Gdk-ERROR **: 23:23:51.885: The program 'wxmacmolplt' received an X Window System error.
This probably reflects a bug in the program.
The error was 'BadRequest (invalid request code or no such operation)'.
  (Details: serial 263 error_code 1 request_code 156 (unknown) minor_code 1)
  (Note to programmers: normally, X errors are reported asynchronously;
   that is, you will receive the error a while after causing it.
   To debug your program, run it with the GDK_SYNCHRONIZE environment
   variable to change this behavior. You can then get a meaningful
   backtrace from your debugger if you break on the gdk_x_error() function.)
Trace/breakpoint trap (core dumped)

I guess OSMESA might be the better choice then or is there something wrong with my setups (I tested it on 2 different machines)?

@sassy-crick
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Some further testing: I have also compiled glew with GLX and OSMESA . It all works fine when I am sitting in front of the computer but not remotely.

@akesandgren
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@sassy-crick You have trailing whitespaces in wxMacMolPlt-7.7.3-GCC-13.2.0.eb lines 10-13
NOTE that I updated the PR by removing the already merged glew, so make sure to only use eb --update-pr with the fixed wxMac...

Comment thread easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-12.3.0.eb Outdated
Comment thread easybuild/easyconfigs/w/wxMacMolPlt/wxMacMolPlt-7.7.3-GCC-13.2.0.eb Outdated
@sassy-crick
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@boegelbot please test @ jsc-zen3

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@sassy-crick: 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=22187 EB_ARGS= EB_CONTAINER= EB_REPO=easybuild-easyconfigs EB_BRANCH=develop /opt/software/slurm/bin/sbatch --job-name test_PR_22187 --ntasks=8 ~/boegelbot/eb_from_pr_upload_jsc-zen3.sh' executed!

  • exit code: 0
  • output:
Submitted batch job 7651

Test results coming soon (I hope)...

Details

- notification for comment with ID 3197031681 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 2 out of 2 (2 easyconfigs in total)
jsczen3c1.int.jsc-zen3.fz-juelich.de - Linux Rocky Linux 9.6, x86_64, AMD EPYC-Milan Processor (zen3), Python 3.9.21
See https://gist.github.com/boegelbot/19985ea56bfdf5e564e195978d9efd54 for a full test report.

@akesandgren
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Test report by @akesandgren
SUCCESS
Build succeeded for 10 out of 10 (2 easyconfigs in total)
b-cn1611.hpc2n.umu.se - Linux Ubuntu 22.04, x86_64, AMD EPYC 7313 16-Core Processor, 1 x NVIDIA NVIDIA A100 80GB PCIe, 555.58.02, Python 3.10.12
See https://gist.github.com/akesandgren/a003e53584553a5f7d3e64427a434cf3 for a full test report.

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LGTM

@akesandgren akesandgren changed the title {vis}[GCC/12.3.0,GCC/13.2.0,GCCcore/13.2.0] glew v2.2.0, wxMacMolPlt v7.7.3 w/ egl {vis}[GCC/12.3.0,GCC/13.2.0,GCCcore/13.2.0] wxMacMolPlt v7.7.3 w/ egl Aug 18, 2025
@akesandgren akesandgren added this to the next release (5.1.2) milestone Aug 18, 2025
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Going in, thanks @sassy-crick!

@akesandgren akesandgren merged commit 6e78819 into easybuilders:develop Aug 18, 2025
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@sassy-crick sassy-crick deleted the 20250120222619_new_pr_glew220 branch August 18, 2025 15:41
@boegel boegel added new and removed update labels Sep 26, 2025
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5 participants