[easybuild] next EasyBuild conf call: Wed Sept 15th 2021 at 15:00 UTC (17:00 CEST)

2021-09-14 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Sept 15th 2021 at 15:00 UTC (17:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * overview of recent developments * out-of-the-box performance of TensorFlow installations with EasyBuild

Re: [easybuild] impi/2021.2.0-intel-compilers-2021.2.0: assign_context command failed: Cannot allocate memory

2021-09-10 Thread Kenneth Hoste
Hi Loris,

On 10/09/2021 13:09, Loris Bennett wrote:
> Hi,
>
> When building
>   
>impi/2021.2.0-intel-compilers-2021.2.0
>
> with EB 4.4.2 I am getting the following error
>
>== 2021-09-10 11:30:42,184 run.py:233 INFO running cmd: mpirun -n 40 
> 

[easybuild] [ANN] EasyBuild v4.4.2

2021-09-07 Thread Kenneth Hoste
Dear EasyBuilders, I'm pleased to announce the release of EasyBuild v4.4.2 [1]. Here's a surprise: this is the best EasyBuild release to date! Reason #5 will surprise you!!! EasyBuild v4.4.2 is mostly a bugfix and update release, but also includes several minor enhancements. Highlights for

Re: [easybuild] next EasyBuild conf call: Wed Sep 1st 2021 at 08:00 UTC (10:00 CEST)

2021-09-01 Thread Kenneth Hoste
17:36, Kenneth Hoste wrote: Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Sep 1st 2021 at 08:00 UTC (10:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda:   * overview of recent developments   * Q Suggestions for additional topics

[easybuild] next EasyBuild conf call: Wed Sep 1st 2021 at 08:00 UTC (10:00 CEST)

2021-08-31 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Sep 1st 2021 at 08:00 UTC (10:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * overview of recent developments * Q Suggestions for additional topics are always welcome! More

Re: [easybuild] next EasyBuild conf call: Wed Aug 18th 2021 at 15:00 UTC (17:00 CEST)

2021-08-19 Thread Kenneth Hoste
Notes for yesterday's conf call are available at https://github.com/easybuilders/easybuild/wiki/Conference-call-notes-20210818 Next conf call is scheduled for Wed Sept 1st, at 08:00 UTC; more info at regards, Kenneth On 17/08/2021 16:57, Kenneth Hoste wrote: Dear EasyBuilders, The next

Re: [easybuild] EasyBuild Tech Talks IV: AMD Rome & Milan (Tue Aug 17th 2021 - 16:00-17:30 UTC)

2021-08-18 Thread Kenneth Hoste
://www.surveymonkey.com/r/eb_tech_talk_amd_epyc regards, Kenneth On 16/08/2021 21:05, Kenneth Hoste wrote: Dear EasyBuilders, This is a friendly reminder that the EasyBuild Tech Talk on AMD Rome & Milan was rescheduled from July 2nd to Tue Aug 17th 2021 (tomorrow) - 16:00-17:30 UTC. If you hav

[easybuild] next EasyBuild conf call: Wed Aug 18th 2021 at 15:00 UTC (17:00 CEST)

2021-08-17 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Aug 18th 2021 at 15:00 UTC (17:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * overview of recent developments * update on support for installing AlphaFold * Q Suggestions

Re: [easybuild] EasyBuild Tech Talks IV: AMD Rome & Milan (Tue Aug 17th 2021 - 16:00-17:30 UTC)

2021-08-16 Thread Kenneth Hoste
ents/ebtechtalkamdromemilan More information available via https://github.com/easybuilders/easybuild/wiki/EasyBuild-tech-talks-IV:-AMD-Rome-&-Milan . regards, Kenneth On 17/06/2021 10:56, Kenneth Hoste wrote: Dear EasyBuilders, Are you wondering why and how AMD got back in the HPC game recently,

Re: [easybuild] RPATH support experimental or not?

2021-08-06 Thread Kenneth Hoste
Hi Loris, On 12/07/2021 07:55, Loris Bennett wrote: Hi, Here https://docs.easybuild.io/en/latest/RPATH-support.html is says both RPATH support has been available since EasyBuild v3.0.0, but was considered experimental until EasyBuild v3.5.2 and For now, --experimental is also

Re: [easybuild] xtb

2021-08-06 Thread Kenneth Hoste
Dear Henrik, The banned/required shared libraries feature is new in EasyBuild v4.4.0 [1], and perhaps you're hitting a corner case where it's not working as intended... By default, the list of banned and required shared libraries is empty, except when using foss/2021a. In that case, the

Re: [easybuild] next EasyBuild conf call: Wed Aug 4th 2021 at 08:00 UTC (10:00 CEST)

2021-08-04 Thread Kenneth Hoste
19:08, Kenneth Hoste wrote: Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Aug 4th 2021 at 08:00 UTC (10:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda:   * overview of recent developments   * Q Suggestions for additional topics

[easybuild] next EasyBuild conf call: Wed Aug 4th 2021 at 08:00 UTC (10:00 CEST)

2021-08-03 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Aug 4th 2021 at 08:00 UTC (10:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * overview of recent developments * Q Suggestions for additional topics are always welcome! More

[easybuild] [ANN] EasyBuild v4.4.1

2021-07-06 Thread Kenneth Hoste
Dear EasyBuilders, I'm happy to announce the release of EasyBuild v4.4.1 [1], right in time for your summer vacation (in the northern hemisphere). You guessed it: this is the best EasyBuild release to date, or did you think it's a coincidence that the version is equivalent to the sum of the

Re: [EXTERNAL] Re: [easybuild] EB configuration - Resolve dependencies in separate stack

2021-07-04 Thread Kenneth Hoste
000=8CC9XXvKgthdIoo9TVCaNWfH7dNaq5RbYJ3LaY8UWm4%3D=0> for an example that is pretty similar for what you are trying to achieve. Alan On Fri, 2 Jul 2021 at 20:06, Kenneth Hoste <mailto:kenneth.ho...@ugent.be>> wrote: On 02/07/2021 19:38, Davide Vanzo wrote: >

Re: [easybuild] EB configuration - Resolve dependencies in separate stack

2021-07-02 Thread Kenneth Hoste
On 02/07/2021 19:38, Davide Vanzo wrote: Hello EasyBuilders! I am trying to configure EasyBuild to allow users to install software locally while using the existing cluster-wide stack (distributed via CVMFS) for dependencies. Here is the relevant EB configuration on the clients:

Re: [easybuild] new EasyBuild maintainer: Balázs Hajgató

2021-07-01 Thread Kenneth Hoste
, Kenneth On 01/07/2021 09:33, Kenneth Hoste wrote: Dear EasyBuild maintainers, Please join me in welcoming Balázs Hajgató, one of my colleagues in the HPC-UGent team, as EasyBuild maintainer. Balázs has a lot of experience with EasyBuild, with close to 300 merged easyconfig PRs (first one

[easybuild] new EasyBuild maintainer: Balázs Hajgató

2021-07-01 Thread Kenneth Hoste
Dear EasyBuild maintainers, Please join me in welcoming Balázs Hajgató, one of my colleagues in the HPC-UGent team, as EasyBuild maintainer. Balázs has a lot of experience with EasyBuild, with close to 300 merged easyconfig PRs (first one dates back to July 2014) and 33 merged easyblock

[easybuild] EasyBuild tutorial at ISC'21

2021-06-23 Thread Kenneth Hoste
Dear EasyBuilders, The (virtual) ISC'21 conference is kicking off this week with the tutorials. On Friday June 25th (12:00-16:00 UTC), there will be an EasyBuild tutorial as well. Look for "Maintaining a Modern Scientific Software Stack Made Easy with EasyBuild" in the schedule. Don't

Re: [easybuild] next EasyBuild conf call: Wed June 23rd 2021 at 15:00 UTC (17:00 CEST)

2021-06-23 Thread Kenneth Hoste
/06/2021 23:03, Kenneth Hoste wrote: Dear EasyBuilders, The next EasyBuild conf call is planned for Wed June 23rd at 15:00 UTC (17:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda:   * overview of recent developments   * support for metadata (checksums

[easybuild] next EasyBuild conf call: Wed June 23rd 2021 at 15:00 UTC (17:00 CEST)

2021-06-22 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed June 23rd at 15:00 UTC (17:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * overview of recent developments * support for metadata (checksums, etc.) outside of easyconfig files

Re: [easybuild] Problem changing permissions of installed file

2021-06-21 Thread Kenneth Hoste
Hi Ed, The behavior you're seeing is because EasyBuild also fiddles with permissions, after the postinstallcmds are run. There's a separate "permissions" step where this is done, which you can skip by including this in your easyconfig file: skipsteps = ['permissions'] I'm not sure

[easybuild] documentation on installing EasyBuild updated to better reflect current best practices

2021-06-18 Thread Kenneth Hoste
Dear EasyBuilders, The documentation on installing EasyBuild [1] is (finally!) updated to better reflect current best practices (use pip, or install EasyBuild as a module with EasyBuild), with a big thanks to Simon Branford for looking into this! The infamous EasyBuild bootstrap script is

[easybuild] EasyBuild Tech Talks IV: AMD Rome & Milan (Fri July 2nd 2021 - 16:00-17:30 UTC)

2021-06-17 Thread Kenneth Hoste
Dear EasyBuilders, Are you wondering why and how AMD got back in the HPC game recently, or how to get the most out of your own new AMD-based HPC cluster? If so, join the next EasyBuild Tech Talk! **Performance Optimizations & Best Practices for AMD Rome and Milan CPUs in HPC Environments**

Re: [easybuild] MATLAB-2021a.eb fails with "Picked up _JAVA_OPTIONS: -Xmx2048m"

2021-06-09 Thread Kenneth Hoste
Dear Loris, The actual error could be something totally different, the MATLAB installer doesn't exactly shine in error reporting... I think you can trace down the actual error message in a temporary directory that is created by the MATLAB installer somewhere. Can you find anything in /tmp,

Re: [easybuild] next EasyBuild conf call: Wed June 9th 2021 at 08:00 UTC (10:00 CEST)

2021-06-09 Thread Kenneth Hoste
Notes for today's conf call are available at https://github.com/easybuilders/easybuild/wiki/Conference-call-notes-20210609 . Next conf call is planned for Wed June 23rd 2021 at 15:00 UTC (17:00 CEST). regards, Kenneth On 08/06/2021 14:47, Kenneth Hoste wrote: Dear EasyBuilders, The next

[easybuild] next EasyBuild conf call: Wed June 9th 2021 at 08:00 UTC (10:00 CEST)

2021-06-08 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed June 9th at 08:00 UTC (10:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * overview of recent developments * Q As usual, suggestions for additional topics are welcome. More

Re: [easybuild] ERROR: No compatible 'python' command found via $PATH (EasyBuild requires Python 2.6+ or 3.5+)

2021-06-04 Thread Kenneth Hoste
Hi Ole, On 04/06/2021 14:47, Ole Holm Nielsen wrote: On 6/4/21 2:41 PM, Kenneth Hoste wrote: On 04/06/2021 14:36, Ole Holm Nielsen wrote: $ ls -la /home/modules/software/EasyBuild/4.4.0/lib/python3.6/site-packages/easybuild/base total 172 drwxr-xr-x. 3 modules modules   147 Jun  4 07:30

Re: [easybuild] ERROR: No compatible 'python' command found via $PATH (EasyBuild requires Python 2.6+ or 3.5+)

2021-06-04 Thread Kenneth Hoste
and wrapper.py are the files that have been touched least recently in that directory, which could have something to do with it (automatic cleanup of old files by a cron job?!), but I'm guessing... regards, Kenneth On 6/4/21 2:34 PM, Kenneth Hoste wrote: On 04/06/2021 14:30, Ole Holm Nielsen

Re: [easybuild] ERROR: No compatible 'python' command found via $PATH (EasyBuild requires Python 2.6+ or 3.5+)

2021-06-04 Thread Kenneth Hoste
On 04/06/2021 14:30, Ole Holm Nielsen wrote: On 6/4/21 2:22 PM, Kenneth Hoste wrote: Is this problem reproducible? If you reinstall EasyBuild v4.4.0, does the problem stay? I've done the bootstrap again now.  The bootstrap log file is attached. The log shows that the reinstall didn't

Re: [easybuild] ERROR: No compatible 'python' command found via $PATH (EasyBuild requires Python 2.6+ or 3.5+)

2021-06-04 Thread Kenneth Hoste
On 04/06/2021 14:30, Ole Holm Nielsen wrote: On 6/4/21 2:22 PM, Kenneth Hoste wrote: Hi Ole, On 04/06/2021 14:09, Ole Holm Nielsen wrote: On 6/4/21 1:54 PM, Kenneth Hoste wrote: Please try running this, which will probably reveal the problem:     python3 -O -m easybuild.main $ python3 -O

Re: [easybuild] ERROR: No compatible 'python' command found via $PATH (EasyBuild requires Python 2.6+ or 3.5+)

2021-06-04 Thread Kenneth Hoste
Hi Ole, On 04/06/2021 14:09, Ole Holm Nielsen wrote: On 6/4/21 1:54 PM, Kenneth Hoste wrote: Please try running this, which will probably reveal the problem:     python3 -O -m easybuild.main $ python3 -O -m easybuild.main Traceback (most recent call last):   File "/usr/lib64/pyth

Re: [easybuild] ERROR: No compatible 'python' command found via $PATH (EasyBuild requires Python 2.6+ or 3.5+)

2021-06-04 Thread Kenneth Hoste
Hi Ole, Please try running this, which will probably reveal the problem: python3 -O -m easybuild.main Somehow that's resulting in a non-zero exit code, which makes the 'eb' wrapper conclude it can't use the 'python3' command. You can control which python* command is used to run

Re: [easybuild] Build failure with PyTorch-1.7.1-fosscuda-2020b.eb

2021-06-04 Thread Kenneth Hoste
21 8:54 AM, Kenneth Hoste wrote: Excellent, that's great to hear, thanks for the update Ole! regards, Kenneth On 03/06/2021 07:42, Ole Holm Nielsen wrote: Hi Kenneth, I can confirm that with EasyBuild v4.4.0 the PyTorch 1.8.1 installation went smoothly and without any problems: $ eb PyTorch-

Re: [easybuild] Troubles with PySCF

2021-06-03 Thread Kenneth Hoste
On 03/06/2021 20:46, Agustín Aucar wrote: Dear Kenneth, Thank you so much for your kind reply. El jue, 3 jun 2021 a las 15:18, Kenneth Hoste (<mailto:kenneth.ho...@ugent.be>>) escribió: Dear Agustín, I'm not sure if there's an easy way to determine which library is

Re: [easybuild] Troubles with PySCF

2021-06-03 Thread Kenneth Hoste
-foss-2020b-Python-3.8.6 Thank you in advance for any help, Agustín El jue, 3 jun 2021 a las 8:03, Agustín Aucar (<mailto:agusau...@gmail.com>>) escribió: Dear Åke and Kenneth,, Thank you very much for your replies. El jue, 3 jun 2021 a las 4:00, Kenneth Hoste (mailto:

Re: [easybuild] Troubles with PySCF

2021-06-03 Thread Kenneth Hoste
Dear Agustín, The fundemental problem is indeed that you're building software on one type of CPU, and then trying to run it on another. Can you share some more details on what type of CPU is in the master node and slave nodes? If you can, try using the archspec tool (see

Re: [easybuild] Build failure with PyTorch-1.7.1-fosscuda-2020b.eb

2021-06-03 Thread Kenneth Hoste
regards, Ole On 6/1/21 5:13 PM, Kenneth Hoste wrote: Hi Ole, This error doesn't mean anything in particular for me, but perhaps it rings a bell for Alexander (in CC). There are a couple of fixes related to PyTorch that will be included in the upcoming EasyBuild v4.4.0 release (which

[easybuild] [ANN] EasyBuild v4.4.0

2021-06-02 Thread Kenneth Hoste
Dear EasyBuilders, We're pleased to announce the release of EasyBuild v4.4.0 [1]. In my view, and I don't say this lightly, this is the best EasyBuild release ever! Not only because the version number has been increased, but also because: - it includes initial support for custom toolchains

Re: [easybuild] Build failure with PyTorch-1.7.1-fosscuda-2020b.eb

2021-06-01 Thread Kenneth Hoste
Hi Ole, This error doesn't mean anything in particular for me, but perhaps it rings a bell for Alexander (in CC). There are a couple of fixes related to PyTorch that will be included in the upcoming EasyBuild v4.4.0 release (which will be released tomorrow hopefully), so keep an eye out for

Re: [easybuild] TensorFlow build fails in //tensorflow/core/common_runtime:graph_constructor_test

2021-05-27 Thread Kenneth Hoste
(please keep Alexander in the loop) On 27/05/2021 10:34, Loris Bennett wrote: Ole Holm Nielsen writes: On 5/27/21 9:48 AM, Alexander Grund wrote: The EB log file reports an error: //tensorflow/core/common_runtime:graph_constructor_test FAILED TO BUILD and the log file ends with:

Re: [easybuild] TensorFlow build fails in //tensorflow/core/common_runtime:graph_constructor_test

2021-05-27 Thread Kenneth Hoste
Hi Ole, The TensorFlow tests are known to be a PITA (to put it mildly). Alexander (who I included in CC since he's not on the mailing list) has spent quite a bit of time weeding things out there, so maybe he has specific suggestions. An easy way out if you're willing to ignore failing tests

Re: [easybuild] next EasyBuild conf call: Wed May 26th 2021 at 15:00 UTC (17:00 CEST)

2021-05-26 Thread Kenneth Hoste
Notes for today's conf call are available at https://github.com/easybuilders/easybuild/wiki/Conference-call-notes-20210526 . Next conf call is planned for Wed June 9th 2021 at 08:00 UTC (10:00 CEST). regards, Kenneth On 25/05/2021 23:08, Kenneth Hoste wrote: Dear EasyBuilders, The next

[easybuild] next EasyBuild conf call: Wed May 26th 2021 at 15:00 UTC (17:00 CEST)

2021-05-25 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed May 26th at 15:00 UTC (17:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * outlook to next EasyBuild release (v4.4.0) * progress update on 2021a version of common toolchains *

Re: [easybuild] Help Needed

2021-05-18 Thread Kenneth Hoste
Hi Ernesto, On 18/05/2021 11:57, Ernesto Eduardo Diaz Conde wrote: Hello Since version 4.3.3 I am trying to install Perl 5.32-GCCcore with any of the toolchain versions but I keep getting error, even in the new version of EasyBuild I attach the log. Any indication or modification that must

Re: [easybuild] next EasyBuild conf call: Wed May 12th 2021 at 08:00 UTC (10:00 CEST)

2021-05-12 Thread Kenneth Hoste
, Kenneth On 11/05/2021 21:39, Kenneth Hoste wrote: Dear EasyBuilders, The next EasyBuild conf call is planned for Wed May 12th at 08:00 UTC (10:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda:   * update on recent developments   * progress update

[easybuild] next EasyBuild conf call: Wed May 12th 2021 at 08:00 UTC (10:00 CEST)

2021-05-11 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed May 12th at 08:00 UTC (10:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * update on recent developments * progress update on 2021a version of common toolchains * Q

Re: [easybuild] next EasyBuild conf call: Wed Apr 28th 2021 (*today*) at 15:00 UTC (17:00 CEST)

2021-04-28 Thread Kenneth Hoste
, Kenneth Hoste wrote: Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Apr 28th (*today*) at 15:00 UTC (17:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda:  * update on recent developments  * 2021a toolchains    - progress update

[easybuild] next EasyBuild conf call: Wed Apr 28th 2021 (*today*) at 15:00 UTC (17:00 CEST)

2021-04-28 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Apr 28th (*today*) at 15:00 UTC (17:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * update on recent developments * 2021a toolchains - progress update - BLAS toolchain

Re: [easybuild] foss build fails due to permission issues in MPC

2021-04-27 Thread Kenneth Hoste
Dear Jonathan, I think we've seen problems like this before, when the build directory is located on a parallel filesystem like GPFS or Lustre. Please make sure that you are using a local filesystem (like /tmp) on ramdisk (/dev/shm) for the build directories. You can configure this location

[easybuild] [ANN] EasyBuild v4.3.4

2021-04-09 Thread Kenneth Hoste
Dear EasyBuilders, I'm happy to announce the release of EasyBuild v4.3.4 [1]. As usual, the world has come up with creative ways of distracting you from the many improvements that are available in this release, like a way too big container ship blocking the Suez canal... What will they think

Re: [easybuild] next EasyBuild conf call: Wed Mar 31st 2021 (*today*) at 15:00 UTC (17:00 CEST)

2021-03-31 Thread Kenneth Hoste
Notes for today's conf call are available at https://github.com/easybuilders/easybuild/wiki/Conference-call-notes-20210331 . The next EasyBuild conf call is planned for Wed Apr 14th, at 08:00 UTC (10:00 CEST). regards, Kenneth On 31/03/2021 10:48, Kenneth Hoste wrote: Dear EasyBuilders

[easybuild] next EasyBuild conf call: Wed Mar 31st 2021 (*today*) at 15:00 UTC (17:00 CEST)

2021-03-31 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for March 31st (*today*) at 15:00 UTC (17:00 CEST). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * update on recent developments * 2021a update of common toolchains - outlook to component

Re: [easybuild] EasyBuild Tech Talks III: FlexiBLAS (Mon Mar 29th 2021 - 3pm UTC)

2021-03-29 Thread Kenneth Hoste
:-FlexiBLAS . Join us for what is promising to be a very interesting talk by the lead developer of FlexiBLAS! regards, Kenneth On 22/03/2021 15:35, Kenneth Hoste wrote: Dear EasyBuilders, I'm happy to announce the 3rd EasyBuild Tech Talk: "FlexiBLAS - A BLAS and LAPACK wrapper li

[easybuild] EasyBuild Tech Talks III: FlexiBLAS (Mon Mar 29th 2021 - 3pm UTC)

2021-03-22 Thread Kenneth Hoste
Dear EasyBuilders, I'm happy to announce the 3rd EasyBuild Tech Talk: "FlexiBLAS - A BLAS and LAPACK wrapper library with runtime exchangeable backends". This talk is planned for **Monday March 29th 2021 at 3pm UTC (5pm CEST)**, and will be given by the creator and lead developer of

Re: [easybuild] EB module for AFLOW - Automatic FLOW for Materials Discovery?

2021-03-19 Thread Kenneth Hoste
Hi Ole, On 18/03/2021 18:29, Ole Holm Nielsen wrote: Dear Easybuilders, I have received a request to provide the software AFLOW - Automatic FLOW for Materials Discovery (http://aflow.org) with an installation page at http://aflow.org/install-aflow/ Question:  Has anyone been working on an

Re: [easybuild] Build fails of OpenMPI/4.0.5-GCC-10.2.0 on AMD EPYC node

2021-03-12 Thread Kenneth Hoste
Dear Ole, Please check https://github.com/easybuilders/easybuild-easyconfigs/issues/11939, where this issue is also reported. It seems to be related to (not) having specific OS packages installed when libfabric is being installed. We probably need to make some changes (configure options,

Re: [easybuild] Toolchain question

2021-03-04 Thread Kenneth Hoste
Hi Jakob, On 04/03/2021 15:10, Jakob Schiøtz wrote: Hi, I am making an .eb file for POV-RAY, and would love to move it down from foss/intel 2020b to GCCcore-10.2.0. Unfortunately, one of the dependencies is in the GCC-10.2.0 toolchain, so that is not possible. If I build it in the

Re: [easybuild] next EasyBuild conf call: Wed Mar 3rd 2021 (*today*) at 16:00 UTC

2021-03-03 Thread Kenneth Hoste
at 13:15 UTC there's also the weekly update meeting on evaluating BLIS, see https://github.com/easybuilders/easybuild/wiki/BLIS-evaluation for more info. regards, Kenneth On 03/03/2021 10:51, Kenneth Hoste wrote: Dear EasyBuilders, The next EasyBuild conf call is planned for Mar Feb 3rd

[easybuild] next EasyBuild conf call: Wed Mar 3rd 2021 (*today*) at 16:00 UTC

2021-03-03 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Mar Feb 3rd (*today*) at 16:00 UTC . You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * update on recent developments * quick update on evaluation of BLIS for 'foss' toolchain * revamp of

Re: [EXTERNAL] Re: [easybuild] WRF-3.9.1.1-foss-2020a-dmpar fails with no output

2021-02-27 Thread Kenneth Hoste
2271 https://github.com/easybuilders/easybuild-framework/issues/3593 Thanks for opening the issues, both problems are fixed in the develop branches now, so they will be included with the next EasyBuild release (ETA end of March). regards, Kenneth Davide -Original Message----- From: Kenneth H

[easybuild] [ANN] EasyBuild v4.3.3

2021-02-23 Thread Kenneth Hoste
Dear EasyBuilders, It's my pleasure to announce the first EasyBuild release of 2021 (a.k.a. the year after the infamous year 2020): EasyBuild v4.3.3 [1] Not only is this the best release of 2021 so far, it's also the best EasyBuild version ever! It's so good that everybody in Clubhouse is

Re: [easybuild] Build failure with GCC 10.2.0: multiple definition of 'replica_index'

2021-02-23 Thread Kenneth Hoste
Hi Loris, On 23/02/2021 13:42, Loris Bennett wrote: Thanks for the information, John. So there seem to be a number of solutions: 1. Software author patches software 2. EasyConfig author patches software 3. EasyConfig author builds against pre-10 GCC There's another option if you

Re: [easybuild] focused meeting to coordinate BLIS evaluation

2021-02-18 Thread Kenneth Hoste
Friendly (though late) reminder: follow-up meeting on this at 1.15pm UTC today, same Zoom link... regards, Kenneth On 09/02/2021 21:23, Kenneth Hoste wrote: Hi everyone, My apologies for the late continuation on this... Based on the doodle, tomorrow (Wed Feb 10th) afternoon would

Re: [easybuild] Intall foss-2020b.eb fails

2021-02-17 Thread Kenneth Hoste
*Glenn (Gedaliah) Wolosh, Ph.D.* Sr Acad & Res Comp Supp Spec Acad & Research Computing Systems gwol...@njit.edu <mailto:gwol...@njit.edu> • (973) 596-5437 596-5437> A Top 100 National University /U.S. News & World Report/ On Feb 17, 2021, at 9:41 AM, Kenneth Hoste <mailto:

Re: [easybuild] Intall foss-2020b.eb fails

2021-02-17 Thread Kenneth Hoste
Dear Glenn, On 17/02/2021 15:35, Glenn (Gedaliah) Wolosh wrote: All, Running on centos 7.8 Easybuild 4.3.2 This is the first install I am attempting with easybuild. The install fails here: == FAILED: Installation ended unsuccessfully (build directory:

Re: [easybuild] next EasyBuild conf call: Wed Feb 17th 2021 at 09:00 UTC

2021-02-17 Thread Kenneth Hoste
Notes of today's EB conf call are available at https://github.com/easybuilders/easybuild/wiki/Conference-call-notes-20210217 . Next conf call is planned for Wed March 3rd at 16:00 UTC. regards, Kenneth On 16/02/2021 20:56, Kenneth Hoste wrote: Dear EasyBuilders, The next EasyBuild conf

[easybuild] next EasyBuild conf call: Wed Feb 17th 2021 at 09:00 UTC

2021-02-16 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Feb 17th at 9am UTC / 10am CET. You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * PyTorch benchmarking results (conda vs EasyBuild) at EMBL * update on recent developments + outlook to next

Re: [easybuild] using a proxy

2021-02-11 Thread Kenneth Hoste
Dear Javier, On 11/02/2021 20:40, Javier Emilio Alfonso wrote: Hello I'm trying to install certains software in my HPC through EasyBuild but I am having a problem with a proxy configuration. I looked for about using EasyBuild with proxy but the only thing that I found is a python library

Re: [easybuild] focused meeting to coordinate BLIS evaluation

2021-02-09 Thread Kenneth Hoste
use the regular EasyBuild Zoom link (https://umu.zoom.us/j/561463243). Short agenda: figure out which things to look into w.r.t. evaluating BLIS thoroughly, who could look into what, plus how quickly we set up a follow-up meeting... regards, Kenneth On 03/02/2021 20:56, Kenneth Hoste wrote

Re: [easybuild] ncbi-vdb-2.10.7-gompi-2020a.eb - fails with 'cannot find -lbz2'

2021-02-09 Thread Kenneth Hoste
On 08/02/2021 14:11, Loris Bennett wrote: Dear Alan, Adding the dependency worked - update PR created. Fixed in https://github.com/easybuilders/easybuild-easyconfigs/pull/12120, thanks for the PR Loris! Cheers, Loris Alan O'Cais writes: Dear Loris, It looks like you just need

[easybuild] focused meeting to coordinate BLIS evaluation

2021-02-03 Thread Kenneth Hoste
Dear EasyBuilders, Following the recent discussions about BLIS, and Field's excellent presentation at EUM'21 last week [1], we want to evaluate whether BLIS is a suitable replacement for OpenBLAS in the foss toolchain, for foss/2021a onwards. My gut feeling says it's the proper way forward,

Re: [easybuild] next EasyBuild conf call: Wed Feb 3rd 2021 (*today*) at 16:00 UTC

2021-02-03 Thread Kenneth Hoste
Dear EasyBuilders, Notes for today's conf call are available at https://github.com/easybuilders/easybuild/wiki/Conference-call-notes-20210203 . Next EasyBuild conf call is planned for Feb 17th 2021, at 09:00 UTC. regards, Kenneth On 03/02/2021 14:43, Kenneth Hoste wrote: Dear

[easybuild] next EasyBuild conf call: Wed Feb 3rd 2021 (*today*) at 16:00 UTC

2021-02-03 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Feb 3rd (*today*) at 16:00 UTC . You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * update on recent developments + outlook to next release * review of EasyBuild User Meeting * switching

[easybuild] Quick evaluation survey + YouTube playlist for 6th EasyBuild User Meeting (EUM'21)

2021-02-01 Thread Kenneth Hoste
Dear EasyBuilders, To everyone who attended the 6th EasyBuild User Meeting last week... I'm very pleased with the high quality of the presentations, the interesting questions that were raised, and how smooth everything went overall given the difficult context. Thanks a lot to Simon Branford

Re: [easybuild] Github integration failing: could not read from remote repository

2021-01-29 Thread Kenneth Hoste
Dear Loris, On 29/01/2021 08:55, Loris Bennett wrote: Hi, My GitHub integration is failing: * GitHub user...mygithubusername => OK Please enter password for encrypted keyring: * GitHub token... 18b..089 (len: 40) => OK (validated) * git command...OK ("git version 1.8.3.1; ") *

Re: [easybuild] 4th EasyBuild User Survey (last call, closes Fri Jan 22nd at noon!)

2021-01-21 Thread Kenneth Hoste
). If you haven't filled out the survey yet, please do so *NOW*. If you know colleagues or friends who are using EasyBuild but may not be aware of the survey yet, please send them a quick message to join. regards, Kenneth On 13/01/2021 10:38, Kenneth Hoste wrote: Hi all, This is a friendly

Re: [easybuild] next EasyBuild conf call: Wed Jan 20th 2021 at 09:00 UTC

2021-01-20 Thread Kenneth Hoste
. regards, Kenneth On 19/01/2021 22:59, Kenneth Hoste wrote: Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Jan 20th at 9am UTC / 10am CET. You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda:   * update on recent developments + outlook to next

[easybuild] next EasyBuild conf call: Wed Jan 20th 2021 at 09:00 UTC

2021-01-19 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Jan 20th at 9am UTC / 10am CET. You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * update on recent developments + outlook to next release * Q Suggestions for specific topics are welcome,

Re: [easybuild] GDRCopy-2.1-GCCcore-9.3.0-CUDA-11.0.2.eb - download fails

2021-01-19 Thread Kenneth Hoste
Hi Loris, On 19/01/2021 11:01, Loris Bennett wrote: Hi, Some thing seems to have changed: == 2021-01-19 10:45:16,228 filetools.py:623 WARNING URL https://github.com/NVIDIA/GDRCopy/archive/2.1.tar.gz was not found (HTTP response code 404), not trying again == 2021-01-19 10:45:16,228

[easybuild] Re: 6th EasyBuild User Meeting (online, Jan 25-29 2021)

2021-01-18 Thread Kenneth Hoste
agenda is available at https://easybuild.io/eum/ . Note that there's a separate registration for the CernVM-FS and ReFrame tutorials, which have limited seats due to resources that will be provided for the hands-on parts. regards, Kenneth On 22/12/2020 18:33, Kenneth Hoste wrote: Dear

Re: [easybuild] MakeCp - Installing binaries and Python bindings

2021-01-15 Thread Kenneth Hoste
On 15/01/2021 19:10, Maxime Boissonneault wrote: Hi Loris, "extensions" would be what you are looking for, if you want to pip install specific packages. Yep, but that usually involves a separate source tarball. You could take the approach we use in the Arrow easyconfigs, where we run the

Re: [easybuild] compile error for R 3.6.2 fosscuda/2019b

2021-01-15 Thread Kenneth Hoste
Hi Yann, This: libcuda.so.1: cannot open shared object file: No such file or directory suggests that you're missing the necessary CUDA libraries in your OS. libcuda.so.1 comes with the CUDA drivers (not with the CUDA runtime that is installed with EasyBuild): $ rpm -qf

Re: [easybuild] 4th EasyBuild User Survey (please join!)

2021-01-13 Thread Kenneth Hoste
! regards, Kenneth On 05/01/2021 11:23, Kenneth Hoste wrote: Dear EasyBuilders, By annual tradition, we are doing a survey to get a better view on the EasyBuild community. Please take 10-15 min of your time to fill it out, and provide your valuable feedback! https://nl.surveymonkey.com/r

[easybuild] next EasyBuild conf call: Wed Jan 6th 2021 at 16:00 UTC

2021-01-05 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Jan 6th at 4pm UTC / 5pm CET. You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * update on recent developments * Q Suggestions for additional topics are welcome. More information on the

[easybuild] 4th EasyBuild User Survey (please join!)

2021-01-05 Thread Kenneth Hoste
Dear EasyBuilders, By annual tradition, we are doing a survey to get a better view on the EasyBuild community. Please take 10-15 min of your time to fill it out, and provide your valuable feedback! https://nl.surveymonkey.com/r/eb_user_survey In addition, please consider sharing

Re: [easybuild] next EasyBuild conf call: Wed Dec 23rd 2020 at 9am UTC / 10am CET

2020-12-23 Thread Kenneth Hoste
before, though it looks more promising in recent developments we've made) On Tue, Dec 22, 2020 at 8:47 PM Kenneth Hoste <mailto:kenneth.ho...@ugent.be>> wrote: Dear EasyBuilders, Even though lots of people seem to be in (well deserved!) holiday mode already, we'll

[easybuild] next EasyBuild conf call: Wed Dec 23rd 2020 at 9am UTC / 10am CET

2020-12-22 Thread Kenneth Hoste
Dear EasyBuilders, Even though lots of people seem to be in (well deserved!) holiday mode already, we'll go ahead with the next EasyBuild conf call as planned on Wed Dec 23rd at 9am UTC / 10am CET. You're welcome to join via https://tiny.cc/eb_conf_call if you're interested and still in

[easybuild] 6th EasyBuild User Meeting (online, Jan 25-29 2021)

2020-12-22 Thread Kenneth Hoste
Dear EasyBuilders, I'm happy to announce the agenda of the 6th EasyBuild User Meeting, which will take place fully online during the week of Jan 25-29 2021. This is an open meeting, anyone interested in (some of) the talks that are planned is welcome to join us! We do ask you to *register*

Re: [easybuild] Intel OneAPI Base + HPC toolkit

2020-12-21 Thread Kenneth Hoste
hat your users will continue to want both for the next couple years. >>> Do you know if there will be additional releases of the Intel Parallel Studio going forward, or will the focus be on switching to oneAPI? > No more releases of parallel studio are planned. On 21/12/2020 11:03, Kenne

Re: [easybuild] Re: Conflicting Python versions when building IPython

2020-12-16 Thread Kenneth Hoste
Hi Jakob, We have a test in the easyconfigs test suite that catches conflicts like this, so you shouldn't ever run into on. But taking into account build dependencies is important of course. :) On 16/12/2020 14:40, Jakob Schiøtz wrote: Hi again, I realize now that Python 2.7 is only a build

Re: [easybuild] SciPy-bundle-2020.11-intel-2020b fails numpy test suite.

2020-12-15 Thread Kenneth Hoste
Hi Jakob, On 15/12/2020 09:45, Jakob Schiøtz wrote: Hi EasyBuilders, On some of our older CPUs (Intel Xeon CPU X5570 @ 2.93GHz), SciPy-bundle-2020.11-intel-2020b.eb fails to build, it crashes during the NumPy test suite. The relevant part of the log is attached. Is this anything you have

Re: [easybuild] Running tests in an EasyConfig

2020-12-14 Thread Kenneth Hoste
Hi Jakob, On 14/12/2020 11:07, Jakob Schiøtz wrote: On 14 Dec 2020, at 09.48, Kenneth Hoste wrote: Dear Jakob, On 14/12/2020 09:28, Jakob Schiøtz wrote: Hi EasyBuilders, I am trying to run the test suite of a Python package (ASE), that I install as a PythonBundle. However, the test

Re: [easybuild] Running tests in an EasyConfig

2020-12-14 Thread Kenneth Hoste
Dear Jakob, On 14/12/2020 09:28, Jakob Schiøtz wrote: Hi EasyBuilders, I am trying to run the test suite of a Python package (ASE), that I install as a PythonBundle. However, the test suite seems to be run *before* the package is installed, at least the binary is not yet there. I guess it

[easybuild] [ANN] EasyBuild v4.3.2

2020-12-10 Thread Kenneth Hoste
Dear EasyBuilders, You can stop thinking about what to get your loved ones for Christmas: EasyBuild v4.3.2 is now available! [1] Don't be distracted by supposed US election fraud or concerns about vaccines that may turn everybody into zombies, keep an eye on what really matters: the best

[easybuild] FOSDEM'21 HPC, Big Data, and Data Science devroom

2020-12-10 Thread Kenneth Hoste
friends and colleagues. Please contact us via email at hpc-bigdata-devr...@lists.fosdem.org with questions or concerns, or via @fosdem_hpc on Twitter. -- Kenneth Hoste - HPC team at Ghent University, Belgium Adam Huffman - Big Data Institute, Oxford, UK

Re: [easybuild] next EasyBuild conf call: Wed Dec 9th (*today*) 2020 at 16:00 UTC

2020-12-09 Thread Kenneth Hoste
regards, Kenneth On 09/12/2020 09:36, Kenneth Hoste wrote: Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Dec 9th 2020 (*today*), at 16:00 UTC (5pm CET). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda:   * update on recent developments

[easybuild] next EasyBuild conf call: Wed Dec 9th (*today*) 2020 at 16:00 UTC

2020-12-09 Thread Kenneth Hoste
Dear EasyBuilders, The next EasyBuild conf call is planned for Wed Dec 9th 2020 (*today*), at 16:00 UTC (5pm CET). You can join the conf call via https://tiny.cc/eb_conf_call . Current agenda: * update on recent developments + upcoming EasyBuild release (v4.3.2) * considering switch to

Re: SV: [easybuild] Building of Tkinter stalls

2020-12-07 Thread Kenneth Hoste
st regards Björn -Ursprungligt meddelande----- Från: Kenneth Hoste Skickat: den 7 december 2020 15:07 Till: Björn Claremar Kopia: easybuild@lists.ugent.be Ämne: Re: [easybuild] Building of Tkinter stalls Dear Björn, On 07/12/2020 14:20, Björn Claremar wrote: Hello! I'm an application expert (t

Re: [easybuild] Building of Tkinter stalls

2020-12-07 Thread Kenneth Hoste
Dear Björn, On 07/12/2020 14:20, Björn Claremar wrote: Hello! I’m an application expert (to the role least) and I want to build Tkinter-3.6.6-intel-2018b-Python-3.6.6.eb on a cluster (not locally) to be used within another EB (wrf-python). I’ve tried both with the wrf-python installation

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