Re: [easybuild] deprecating the 'goolf' and 'ictce' toolchains

2018-11-16 Thread Pablo Escobar Lopez
goolf/1.7.20 is my default toolchain. most of my installations use it I would like to move to foss as my default toolchain "soon" but I have more urgent tasks and I won't be able to do it in coming months. In any case I think I would survive if you deprecate it On Fri, Nov 16, 2018 at 12:06 AM Le

Re: [easybuild] Building foss-2019a fails in binutils-2.31.1.eb (Skylake node)

2019-03-04 Thread Pablo Escobar Lopez
On Tue, Feb 26, 2019 at 11:24 AM Kenneth Hoste wrote: > > One easy thing we could do is make the binutils easyblock check whether > both 'gcc' and 'g++' are present, and emit a clear warning if they're > missing? > That would help significantly, since pinpointing the underlying problem > is clear

Re: [easybuild] Openblas(foss) matrix issue

2019-05-27 Thread Pablo Escobar Lopez
Hi, did anyone found a working patch or workaround for the matrix issue when using OpenBLAS-0.3.1 ? After a lot of try&error I couldn't pass the tests in https://github.com/eylenth/Openblas_matrix_issue when using https://github.com/easybuilders/easybuild-easyconfigs/blob/master/easybuild/easycon

Re: [easybuild] Openblas(foss) matrix issue

2019-05-28 Thread Pablo Escobar Lopez
/github.com/xianyi/OpenBLAS/commit/b14f44d2adbe1ec8ede0cdf06fb8b09f3c4b6e43 > (you > can get the patch by adding .patch at the end of the URL) > > Regards, > Carlos > > On Mon, May 27, 2019 at 6:15 PM Pablo Escobar Lopez < > pablo.escobarlo...@unibas.ch> wrote: >

Re: [easybuild] Openblas(foss) matrix issue

2019-05-29 Thread Pablo Escobar Lopez
OpenBLAS/0.3.1-GCC-7.3.0-2.30 > > So is the update command simply this one? > > eb --rebuild OpenBLAS-0.3.5-GCC-8.2.0-2.31.1.eb > OpenBLAS-0.3.1-GCC-7.3.0-2.30.eb OpenBLAS-0.2.20-GCC-6.4.0-2.28.eb > > Is the --force flag also required? > > I suppose that we do not have

Re: [easybuild] Generic easyblock for Unpack+Cmd

2019-08-15 Thread Pablo Escobar Lopez
you could also use the Tarball easyblock + postinstallcmds . e.g. https://gist.github.com/pescobar/5412f1fd889563f3600741a861047d3a On Thu, Aug 15, 2019 at 3:26 PM Maik Schmidt wrote: > Hi all, > > short question: which easyblock is best used for the case: > > - unpack to installdir first > >

Re: [easybuild] Generic easyblock for Unpack+Cmd

2019-08-15 Thread Pablo Escobar Lopez
try to add this line to your easyconfig: unpack_options = '--strip-components=1' On Thu, Aug 15, 2019 at 4:29 PM Maik Schmidt wrote: > Hi Kenneth, > > I just tried that, but the problem is that I get the subdirectory from > the tar in my installdir when using "buildininstalldir". Just using > P

Re: [easybuild] Singularity 3?

2019-09-09 Thread Pablo Escobar Lopez
Hi Loris In singularity 3.x the developers did a new implementation using golang instead of the python/C used in 2.x https://archive.sylabs.io/2018/02/singularity-golang/ This changed the build procedure for 3.x so the existing easyconfigs no longer work with 3.x . Someone would need to create ne

Re: [easybuild] Singularity 3?

2019-09-10 Thread Pablo Escobar Lopez
On Tue, Sep 10, 2019 at 11:03 AM Loris Bennett wrote: > > Thanks for the information. I appreciate the security concerns, > although it seems to me that an EasyBuild version could be the best > solution. That way I can build a new version as soon as it comes out > and deploy it immediately, wit

Re: [easybuild] icc, --modules-tool, --module-syntax

2019-11-25 Thread Pablo Escobar Lopez
On Mon, Nov 25, 2019 at 7:08 PM Marcelo Carignano wrote: > Hello there, > today I installed EasyBuild on a Cray XC50, installation went ok. > Then I tried to install CP2K by doing: > > > eb CP2K-6.1-intel-2018a.eb --modules-tool EnvironmentModulesC > --module-syntax Tcl --robot > > > and eb sta

[easybuild] easyconfig for gromacs-2020.2 + plumed 2.6 ?

2020-09-09 Thread Pablo Escobar Lopez
Hi Anyone in the list has a working easyconfig for Gromacs 2020 + plumed 2.6 ? crappy, hacky, dirty easyconfigs which would not be accepted upstream and would make Kenneth scream are welcome. In fact are preferred ;) thanks! Pablo. -- Pablo Escobar López Linux/HPC systems engineer sciCORE, Un

Re: [easybuild] REPOSITORYPATH broken in 4.5.0

2021-11-09 Thread Pablo Escobar Lopez
Hi Arnau, We had the same problem. Check this issue in github: https://github.com/easybuilders/easybuild-framework/issues/3892 Regards, Pablo. On Tue, Nov 9, 2021 at 12:35 PM Arnau wrote: > Hi all, > > we have been using the EB/git integration for while so, after a successful > compilation, t

Re: [easybuild] easybuild 1.9.0 + lmod

2013-12-05 Thread Pablo Escobar Lopez
the bug is reported. quick woraround is upgrade to latest lmod stable release https://github.com/hpcugent/easybuild-framework/issues/772 you should also check this one https://github.com/hpcugent/easybuild-framework/issues/773 2013/12/5 Garvey, Cormac T > > Hi all, > I have lmod 5.2rc4 install

[easybuild] Re: problem adding a library to my python install

2013-12-11 Thread Pablo Escobar Lopez
for BioPython failed: BioPython failed to install, cmd 'python -c "import biopython"' (stdin: None) output: Traceback (most recent call last): 2013/12/11 Pablo Escobar Lopez > Hi, > > I am trying to add an extra library (extension) to my python install

Re: [easybuild] module unload for toolchains?

2014-01-30 Thread Pablo Escobar Lopez
maybe this is what you are looking for: https://github.com/hpcugent/easybuild-framework/issues/714#issuecomment-26036880 You can modify your modules like this or modify easybuild to automatically generate the modules like this. I think the place to tweak is here https://github.com/hpcugent/easybui

Re: [easybuild] module unload for toolchains?

2014-01-30 Thread Pablo Escobar Lopez
has conditionals that load >> unloadewd/undefined dependencies, and also unload dependencies that are >> loaded/defined. Would running "module load" twice result in unloading? :-) >> >> Easybuild developers: this would be a reasonable (optional) feature >> req

Re: [easybuild] VTune

2014-01-31 Thread Pablo Escobar Lopez
Hi Franky I think you would need to modify the block for vtune and fix the sanity_check_step() function https://github.com/hpcugent/easybuild-easyblocks/blob/master/easybuild/easyblocks/v/vtune.py#L91 Here you can see an example of how to do different checks depending on the version of the app (v

Re: [easybuild] EasyBuild conf call (Feb 4th 2014)

2014-02-04 Thread Pablo Escobar Lopez
I will attend also 2014-02-04 Bernd Mohr : > I plan to listen in > Bernd > > On Mon, Feb 03, 2014 at 10:18:05PM +0100, Kenneth Hoste wrote: > > Hello EasyBuilders, > > > > The next EasyBuild conference call is planned for Tuesday Feb 4th > > 2014, 3 - 3.30pm (CET), i.e. tomorrow, see > > https:/

Re: [easybuild] module unload for toolchains?

2014-02-10 Thread Pablo Escobar Lopez
2014-02-10 17:14 GMT+01:00 Kenneth Hoste : > > > Which modules tool are you using (environment modules, Lmod, ...), and > which version? > personally, I have tested this behaviour with modules 3.2.10 and Lmod 5.2 > > Also: I agree with your amazement that simply wrapping the module name > in si

Re: [easybuild] OpenFoam installation with EB

2014-02-19 Thread Pablo Escobar Lopez
In case it's useful for anyone, there are some utilities to convert from this shell scripts to modulefiles https://github.com/TACC/Lmod/tree/master/contrib/converting_shell_to_module_files regards, Pablo. 2014-02-19 Kenneth Hoste : > Hi Bart, > > The OpenFOAM libraries and binaries are (appar

Re: [easybuild] Toolchains

2014-03-06 Thread Pablo Escobar Lopez
Hi Keith toolchains are not installed by default, you need to build/install one toolchain and then use it to continue building more apps. You can list all the toolchain that easybuild supports by default with the command " eb --list-toolchains" to decide which one you want to use. I recommend you

[easybuild] question about ictce toolchain versions numbers...

2014-03-11 Thread Pablo Escobar Lopez
Hi, I am trying to install ictce toolchain in my cluster. The files I have are: l_ccompxe_2013_sp1.2.144.tgz l_fcompxe_2013_sp1.2.144.tgz l_mkl_11.1.2.144.tgz l_mpi_p_4.1.3.049.tgz In the github repository I have found this pull request which contains mostly all these versions. The only change i

Re: [easybuild] Python and readline

2014-03-13 Thread Pablo Escobar Lopez
Hi all In case the informatiion is useful, for me readline is working fine. I cannot find the string "Failed to build these modules" in any of my build logs. I am using Python-2.7.5-goolf-1.4.10.eb and commented out the readline dependencies in the easyconfig file, so I am using the system packag

Re: [easybuild] Postprocessing Error

2014-03-19 Thread Pablo Escobar Lopez
Hi Keith, In case it's useful for you, I recently added this pull request https://github.com/hpcugent/easybuild-easyconfigs/pull/747 Pablo. 2014-03-18 23:45 GMT+01:00 Fotis Georgatos : > > Hi Ke*, > > On Mar 18, 2014, at 10:45 PM, Kenneth Hoste wrote: > > But it should still look in the confi

Re: [easybuild] Module naming

2014-04-07 Thread Pablo Escobar Lopez
Hi Bart, I tried this custom naming scheme as it was working fine for me https://gist.github.com/anonymous/10016075 To configure it I followed the docs at https://github.com/hpcugent/easybuild/wiki/Using-a-custom-module-naming-scheme and then run easybuild with "eb --module-naming-scheme=JustApp

Re: [easybuild] chmod after installation

2014-04-10 Thread Pablo Escobar Lopez
Hi Andreas, As long as I am aware this is not possible in an easyconfig, you need to go for easyblock, at least I have used an easyblock when I need something like this I also suggested to add this feature in this comment in github https://github.com/hpcugent/easybuild-easyconfigs/pull/795#issuec

Re: [easybuild] formula for toolchain versions???

2014-06-03 Thread Pablo Escobar Lopez
+1000 :) 2014-06-03 22:27 GMT+02:00 Kilian Cavalotti : > On Tue, Jun 3, 2014 at 1:11 PM, Heywood, Todd wrote: > > This is why I’m most interested in module hierarchies via integrating > Easybuild with Lmod. :-) > > I guess there's a lot of us waiting on that. :) > > Cheers, > -- > Kilian >

Re: [easybuild] New to EB, problems building goalf toolchain

2014-07-01 Thread Pablo Escobar Lopez
Hi Arnau :) I think the dependencies are not being resolved because maybe you are not using --robot option? Just try the same command line just adding --robot or -r and let us know if it works. by the way, if you are starting with easybuild from scratch and you are not using any modules tool in

Re: [easybuild] New to EB, problems building goalf toolchain

2014-07-02 Thread Pablo Escobar Lopez
Hi Arnau there is one tip I forgot to tell you in my previous email. By default easybuild doesn't enable support for any queuing system in OpenMPI. I know at CRG you use SGE so I would recommend you to edit the openmpi easyconfig (if you are using goolf-1.4.10 that would be OpenMPI-1.6.4-GCC-4.7.

Re: [easybuild] easyconfig list

2014-07-14 Thread Pablo Escobar Lopez
if you do a search with easybuild you will also get the PATH where all your easyconfigs are located locally in your machine [pub@login11 ~]$ eb --search blast == temporary log file in case of crash /scratch/easybuild-5Vexjc/easybuild-WanX0X.log == Searching (case-insensitive) for 'blast' in */imp

Re: [easybuild] upgrade EB from 1.13 to 1.14

2014-07-22 Thread Pablo Escobar Lopez
Hi Arnau If you already have EasyBuild working I think the easier aproach is to use easybuild itself to install it. Kenneth always attach a easyconfig file with the release announce email so you would only need to run "eb newEBrelease.eb". That way you will have two different modules for your two

Re: [easybuild] Support for other job schedulers

2014-08-08 Thread Pablo Escobar Lopez
Hola Miguel :) as you already mentioned neither LSF or slurm is officially supported yet, anyway even if it were supported, I would suggest to start learning how easybuild works without the --job option because that is not a widely tested option. So I think it´s better to start learning how easyb

Re: [easybuild] Getting started with EB - integrating into existing Lmod environment

2014-08-30 Thread Pablo Escobar Lopez
2014-08-25 18:00 GMT+02:00 Trey Dockendorf : > > towhee - http://sourceforge.net/projects/towhee/ - not sure what it's > used for but requested by local Petroleum engineering users. > tesseract - OCR application used by our local Digital Humanities group > ior - I use this for benchmarking our par

Re: [easybuild] upgrade EB from 1.13 to 1.14

2014-09-09 Thread Pablo Escobar Lopez
2014-09-09 9:37 GMT+02:00 Arnau Bria : > > > > That worked like a charm! > > And for coming releases you don't even need to download a new easyconfig :) This is how I did my last upgrade: $> eb EasyBuild-1.13.0.eb --try-software-version=1.14.0 regards, Pablo. -- Pablo Escobar López HPC sys

[easybuild] easybuild and centos 7 ?

2014-10-24 Thread Pablo Escobar Lopez
Hi, Has anyone tried easybuild in centos 7 ? any feedback before I start some testing with it? thanks Pablo. -- Pablo Escobar López HPC systems engineer Biozentrum, University of Basel Swiss Institute of Bioinformatics SIB Email: pablo.escobarlo...@unibas.ch Phone: +41 61 267 21 80 http://www

Re: [easybuild] CMake-3.3.0-intel-2014b : problem building

2014-10-28 Thread Pablo Escobar Lopez
I verified it when I tried the workaround and it seems to work fine, at least in this case. Here is my build log == 2014-10-27 10:36:55,249 main.run INFO cmd "unset CC && unset CXX && make -j 1 " exited with exitcode 0 and output: cat: src/version_git.h: No such file or directory wget -q http://

Re: [easybuild] CMake-3.3.0-intel-2014b : problem building

2014-10-28 Thread Pablo Escobar Lopez
21 80 http://www.biozentrum.unibas.ch 2014-10-28 12:06 GMT+01:00 Ward Poelmans : > On Tue, Oct 28, 2014 at 12:04 PM, Pablo Escobar Lopez > wrote: > > I verified it when I tried the workaround and it seems to work fine, at > > least in this case. > > That's because you are using a gcc toolc

Re: [easybuild] easybuild build problem

2014-11-18 Thread Pablo Escobar Lopez
Hi Vali, instead of using the bootstrap method I prefer to install easybuild like this: $> wget https://raw.githubusercontent.com/hpcugent/easybuild-easyconfigs/master/easybuild/easyconfigs/e/EasyBuild/EasyBuild-1.14.0.eb $> git clone https://github.com/hpcugent/easybuild-easyconfigs.git $> git

Re: [easybuild] Any easy way to get lots of CPAN modules for a Perl installation?

2014-11-20 Thread Pablo Escobar Lopez
Hi Tin I attach a quick and dirty script I use when I need to add extra perl libraries to my Perl easyconfig in case it's useful for you. The output is something like this: $> ./get-perl-package.sh Digest::SHA1 found a package for Digest::SHA1 : https://cpan.metacpan.org/authors/id/G/GA/GAAS/D

Re: [easybuild] EasyBuild configuration

2014-11-21 Thread Pablo Escobar Lopez
Hi Valeriu, you can always add as many enviroment variables as you need using the options "modextravars" and "modextrapaths" in your easyconfigs. I paste here an example but if you grep for "modextra" in your easyconfigs folder you will find more. modextravars = { 'TRANSABYSS_PATH': '$root',

Re: [easybuild] EasyBuild configuration

2014-11-21 Thread Pablo Escobar Lopez
Hi again Valeriu, in reply to your question about using your existing compiler modules, it's technically possible but as you probably have noticed it's not straightforward My suggestion would be to start using the default easybuild toolchains at least while you start testing and learning easybuil

Re: [easybuild] easybuild new user experience

2015-02-13 Thread Pablo Escobar Lopez
2015-02-11 17:09 GMT+01:00 Cook, Malcolm : > > > Fotis, I note your example name, "sandybridge", apparently encoded an > intel processor microarchitecture, NOT the name of a linux distribution > (such as c6 or c7 for releases of centOS, as proposed). I'm trying to > understand the implications

[easybuild] will openmpi with infiniband support fall back to ethernet if infiniband not available?

2015-03-16 Thread Pablo Escobar Lopez
Hi all, This question is not strictly related to easybuild but I supposed someone here could give me some feedback on the topic. I am planning to upgrade my software stack (using easybuild of course :) and now I will have machines without infiniband and machines with infiniband, I would like to s

Re: [easybuild] will openmpi with infiniband support fall back to ethernet if infiniband not available? [bcc - adr][faked - adr]

2015-03-16 Thread Pablo Escobar Lopez
Hi John thanks for your feedback. I just asked this in the openmpi-users mailing list. You are right that's the right place to ask. Pablo. 2015-03-16 11:25 GMT+01:00 John Hearns : > I am thinking about trying to compile openmpi with infiniband support > (I would compile openmpi in one of the

Re: [easybuild] ? HOWTO: install MACS, a python package.

2015-03-31 Thread Pablo Escobar Lopez
Hi Malcom, some time ago I sent a pull request for MACS https://github.com/hpcugent/easybuild-easyconfigs/pull/1247 I suggest you to review the list of pending pull requests in github before you start writting new easyconfigs https://github.com/hpcugent/easybuild-easyconfigs/pulls regards, Pablo

Re: [easybuild] How to deal with dependencies for R

2015-03-31 Thread Pablo Escobar Lopez
Hi Martin, R extensions change quite often and the url also changes so the normal approach is "manual fix". In case it's useful for you I wrote this script some days ago to deal with this, it's not perfect and still requires some manual work but it works for ~90% of the R libraries so it saves you

[easybuild] updating mathematica easyblock. how to generate the "sources" file?

2015-04-14 Thread Pablo Escobar Lopez
Hi, I need to install Mathematica 10.0.2 which is not supported in easybuild so I will try to update the available easyblock and I have a doubt. I have a Mathematica iso which contains the installer. As far as I know Easybuild doesn't support reading .iso files and I am not sure which is the reco

Re: [easybuild] updating mathematica easyblock. how to generate the "sources" file?

2015-04-14 Thread Pablo Escobar Lopez
ng for perfect purity, so for me the above has always > been the one and only way > to deliver anything that requires .iso extraction (as opposed to manually > creating a tarball). > > hope this helps in some way, > > F. > > On Apr 14, 2015, at 9:12 AM, Pablo Escobar Lopez

Re: [easybuild] Easier way of installing R packages

2015-06-18 Thread Pablo Escobar Lopez
Hi Niek, I think many people in this list has suffer the R dependencies nightmare. I wrote an small scirpt which if you already have a R easyconfig will try to give you which are the latest versions available in R repos. It's not perfect but it helps a little bit at least. Here you have it in cas

Re: [easybuild] Binary of a python package

2015-06-23 Thread Pablo Escobar Lopez
Hi Oliver, I tried to install that software doing "python setup.py install --user" and I cannot find anything in ~/.local/bin . I only get files in ~/.local/lib/python2.7/site-packages/ which is what easybuild is doing and then setting up PYTHONPATH in the modulefile, so when I load the misopy mo

Re: [easybuild] Easier way of installing R packages

2015-06-29 Thread Pablo Escobar Lopez
2015-06-24 10:58 GMT+02:00 Pieter Neerincx : > > Yesterday I started working on an R-script that generates an *.eb from an > existing R installation. This is based on Stefano's code (Many thanks for > sharing that!) and adds some commandline switches, help and code to figure > out whether a packag

Re: [easybuild] Easier way of installing R packages

2015-06-29 Thread Pablo Escobar Lopez
ok, thanks for your effort Pieter 2015-06-29 16:25 GMT+02:00 Pieter Neerincx : > > On Jun 29, 2015, at 3:37 PM, Pablo Escobar Lopez < > pablo.escobarlo...@unibas.ch> wrote: > > > > > > > 2015-06-24 10:58 GMT+02:00 Pieter Neerincx : > > > >

Re: [easybuild] EasyBuild Newbie questions

2015-06-29 Thread Pablo Escobar Lopez
Hola Armando, That command line will install only the framework but you need to install also the easyblocks and easyconfigs to have a fully working easybuild setup. These are the three things you need to get installed (plus a modules system like Lmod) https://github.com/hpcugent/easybuild-framew

Re: [easybuild] Incompatibilities with different CPUs

2015-07-14 Thread Pablo Escobar Lopez
Hi Martin, openblas will ignore the optarch option in easybuild but you can use something like this in the OpenBLAS easyconfig buildopts = 'TARGET=SANDYBRIDGE BINARY=64 ' + threading + ' CC="$CC" FC="$F77"' here you have the list of supported targets in openblas https://github.com/xianyi/OpenBLA

Re: [easybuild] ISC15???

2015-07-16 Thread Pablo Escobar Lopez
2015-07-15 17:24 GMT+02:00 Kenneth Hoste : > > I don't care much for German beer though. ;-) > > > hahahahah Jack be aware you should never ever start the beer flame with a belgian guy. It's much worse than the vim vs emacs discussion..even if everybody knows that the combination of a really

Re: [easybuild] New to EasyBuild - problem installing

2015-10-21 Thread Pablo Escobar Lopez
Hola Oscar, installing scientific software as root is a non recommended practice that's why easybuild triggers an error and asks you not to do it. For testing you can use your standard account. What many easybuild users do once they use easybuild in production is having a dedicated user account in

Re: [easybuild] custom glibc

2015-12-14 Thread Pablo Escobar Lopez
I am also curious to know if someone has tried to use a custom glibc. 2015-12-12 11:29 GMT+01:00 Kenneth Hoste : > Hi Olaf, > > On 13/11/15 10:32, Olaf Walter wrote: > > Dear easybuilders, > > > > has anybody ever attempted to do an easybuild with a custom glibc? > > > > The GCC HOWTO documen

Re: [easybuild] foss/2016a and intel/2016a common toolchains

2016-01-14 Thread Pablo Escobar Lopez
in my opinion I would not include gcc5 in a toolchain which should be considered as "stable". Many developers haven't tried gcc5 yet so I think we would hit many new issues when trying to compile applications which have never been compiled with gcc5. For me in the bioinformatics field is a totally

Re: [easybuild] ffmpeg versus FFmpeg

2016-01-19 Thread Pablo Escobar Lopez
to workaround this "issue" I install Lmod with "./configure --with-caseIndependentSorting=yes" ( https://github.com/TACC/Lmod/blob/master/configure#L1317) and I always use the tab-completion in Lmod 2016-01-18 22:59 GMT+01:00 Riccardo Murri : > (Elizabeth Fischer, Mon, Jan 18, 2016 at 04:02:43PM

Re: [easybuild] Warning from EasyBuild 2.6.0

2016-02-05 Thread Pablo Escobar Lopez
in case it helps, I have noticed that I only get these warnings in the machine were i have python-keyring installed. this is my output for the command that Kenneth asks (identical is the machine which triggers the warning and in the machine which doesn't trigger the warning) [escobar@login18 easy

Re: [easybuild] Warning from EasyBuild 2.6.0

2016-02-05 Thread Pablo Escobar Lopez
d "Module easybuild > was already imported" warnings on this system? > > > K. > > > On 05/02/16 11:05, Pablo Escobar Lopez wrote: > > in case it helps, I have noticed that I only get these warnings in the > machine were i have python-keyring installed. > &g

[easybuild] EasyBuild Workshop, March 2, Basel

2016-02-05 Thread Pablo Escobar Lopez
Can I send some spam to the mailing list? :) As part of the eSCT training program, sciCORE, the scientific computing center at University of Basel is organizing a workshop on EasyBuild. The aim of the workshop is to learn, share information about and practice the EasyBuild software management t

Re: [easybuild] Python packages?

2016-02-09 Thread Pablo Escobar Lopez
HI Elizabeth, There are different options to handle python packages in EB. You can use the "PythonPackage" easyblock or the "Bundle" easyblock. Personally I use PythonPackage for python apps without extra deps and Bundle for apps with many deps but this is quite subjective. Some examples: https:

Re: [easybuild] Building a life sciences sub-community and citation practices

2016-02-18 Thread Pablo Escobar Lopez
Hi Ben, To maintain different subsets of R and Python libraries I suggest you look at the "bundle" easyblock. This is how I am handling this now. Before I was using your approach of adding all the R libraries in the main R easyconfig but adding all the extensions in the main R easyconfig becomes h

Re: [easybuild] adding local variables to module files

2016-02-29 Thread Pablo Escobar Lopez
I have this in some of my easyconfigs. It works for me with tcl modules, I haven't tried with lua syntax. I think you could also use $HOME or $USER or any other env var. It's not exactly what you ask of adding env vars which are local to the module file but maybe it helps... modextravars = { 'PYRO

Re: [easybuild] Using easybuild to manage different Python toolstacks

2016-03-18 Thread Pablo Escobar Lopez
as Alan suggests I think python bundle is the way to go for what you want. I would also suggest that if you want to assure reproducibility you should test your bundles in a machine without internet access. Some python libraries download extra dependencies during installation so if you run your eas

Re: [easybuild] Using easybuild to manage different Python toolstacks

2016-03-18 Thread Pablo Escobar Lopez
| sed 's/better bash/bash better/' # Yelling in a CERN forum > > -- > *From:* easybuild-requ...@lists.ugent.be [easybuild-requ...@lists.ugent.be] > on behalf of Pablo Escobar Lopez [pablo.escobarlo...@unibas.ch] > *Sent:* Friday, March

Re: [easybuild] SPAdes-3.7.1-goolf-1.4.10.eb FAILED

2016-04-22 Thread Pablo Escobar Lopez
I see this in your logs Could NOT find BZip2 (missing: BZIP2_LIBRARIES BZIP2_INCLUDE_DIR) try adding bzip2 as a dependency in the spades easyconfig. 2016-04-22 19:29 GMT+02:00 Klima, Robert (NIH/NIAID) [C] < robert.kl...@nih.gov>: > Hi, > > My installation SPAdes-3.7.1-goolf-1.4.10.eb faile

Re: [easybuild] Where is the LAPACK dependency defined for the foss toolchains

2016-05-28 Thread Pablo Escobar Lopez
Hi Pieter, maybe related? https://github.com/hpcugent/easybuild-easyconfigs/issues/1435 Pablo 2016-05-28 16:23 GMT+02:00 Kenneth Hoste : > Hi Pieter, > > On 28/05/16 15:04, Pieter Neerincx wrote: > > Hi all, > > > > I'm trying to build a new R with a recent foss toolchain. I've tried > 2015b an

Re: [easybuild] Where is the LAPACK dependency defined for the foss toolchains

2016-05-29 Thread Pablo Escobar Lopez
ities: PNG, JPEG, TIFF, NLS, cairo, ICU > Options enabled: R profiling > > Capabilities skipped: > Options not enabled: shared BLAS, memory profiling > > Now lets see if the large list of additional (BioConductor and CRAN) > packages we had in a previous ver

Re: [easybuild] Question about builddependencies and pkg-config

2016-06-22 Thread Pablo Escobar Lopez
2016-06-22 22:57 GMT+02:00 Jack Perdue : > On 06/22/2016 03:31 PM, McGough, Benjamin E wrote: > > I have been struggling with creating a clean environment in which to > build with EasyBuild and test easyconfigs. > > I wish I could be pardoned if I just left a: > > 8^) > > and walked away... >

Re: [easybuild] best easyblock for simple package installation (wget, untar, install)

2016-07-19 Thread Pablo Escobar Lopez
if you are downloading a tarball I think you want the "PackedBinary" easyblock 2016-07-19 13:56 GMT+02:00 Bernd Mohr : > Hi EasyBuilders, > > what would be the best EasyBlock to use for the installation of PACKAGE? > > Installation is as follows: > > a) wget /PACKAGE_.tar.gz > b) tar zxvf PACKAGE

Re: [easybuild] Python 2.6 usage poll

2016-09-16 Thread Pablo Escobar Lopez
I remember we have commented in some hackathon (while having some beers I think) about the possibility of distributing easybuild as a self-contained app. Using something like mini-conda (http://conda.pydata.org/miniconda.html) with easybuild already installed on top of hit could do the trick. With

Re: [easybuild] Python 2.6 usage poll

2016-09-19 Thread Pablo Escobar Lopez
ted now works fine for me and I also have the choice to use conda or not. regards, Pablo. 2016-09-19 2:44 GMT+02:00 Christopher Samuel : > On 16/09/16 20:15, Pablo Escobar Lopez wrote: > > > I remember we have commented in some hackathon (while having some beers > > I think) abo

Re: [easybuild] How to build modules compiled for different hardware architectures?

2016-09-29 Thread Pablo Escobar Lopez
I use a similar solution. I have /soft/apps/arch1 /soft/apps/arch2/soft/apps/archN in a nfs server and I use autofs to mount the right folder in /soft/apps in each compute node. This way the path to access the software stack is the same in every machine (/soft/apps) but each machines uses the r

Re: [easybuild] EB 2.9.0: Irresolvable dependencies for Python 3.5.2

2016-09-29 Thread Pablo Escobar Lopez
have you tried "eb Python-3.5.2-foss-2016.04.eb --try-toolchain=foss,2016.09 -r" ? 2016-09-29 8:55 GMT+02:00 Ole Holm Nielsen : > I need to build Python 3.5 for the EB 2.9.0 toolchain foss-2016.09. > I copied the file Python-3.5.2-foss-2016.04.eb and replaced 04 by 09. > > Unfortunately, irreso

Re: [easybuild] EB 2.9.0: Irresolvable dependencies for Python 3.5.2

2016-09-29 Thread Pablo Escobar Lopez
ecome an issue. > > > > Thanks, > > Ole > > > > On 09/29/2016 10:48 AM, Kenneth Hoste wrote: > >> Hi Ole, > >> > >> On 29/09/16 10:37, Pablo Escobar Lopez wrote: > >>> have you tried "eb Python-3.5.2-foss-2016.04.eb >

Re: Discontinuation of packages (Re: [easybuild] next EasyBuild conf call: *Thu* Sept 29th 2016, 5pm CET)

2016-09-30 Thread Pablo Escobar Lopez
I like what Joachim suggest about the "attic" concept. Old/deprecated easyconfigs provided "as-is" but not included in the regular tests. I think I suggested something similar in one of the conf calls. About how to search in the legacy easyconfigs I would prefer a different approach . What I would

Re: Discontinuation of packages (Re: [easybuild] next EasyBuild conf call: *Thu* Sept 29th 2016, 5pm CET)

2016-09-30 Thread Pablo Escobar Lopez
2016-09-30 12:32 GMT+02:00 Jack Perdue : > > Not saying they are well tested or the best builds but having > repos that you could enable/disable at will to search for easyconfigs > would be nice. > > I like the idea! Being able to define an extra list of git repos or local folders for "eb --search

Re: Discontinuation of packages (Re: [easybuild] next EasyBuild conf call: *Thu* Sept 29th 2016, 5pm CET)

2016-09-30 Thread Pablo Escobar Lopez
2016-09-30 13:19 GMT+02:00 Kenneth Hoste : > > So, the idea of a middle ground popped into my head, something like this: > > $ eb --search ^foo > ... > * /path/to/foo-1.2.3.eb > * /path/to/foo-1.2.4.eb > > Note: additional matching archived easyconfigs were found, use "eb > --search ^foo --conside

Re: [easybuild] How to build modules compiled for different hardware architectures?

2016-10-04 Thread Pablo Escobar Lopez
2016-10-04 11:49 GMT+02:00 Martin : > > > * Within R users are loading the module and doing install.packages() > on a random node, later they want to use that package on a script and it > gives "random" errors with illegal instruction depending on where it ran. > -- User feedback is that this

[easybuild] FFTW dynamic libraries?

2016-10-13 Thread Pablo Escobar Lopez
Hi, I have noticed that FFTW-3.3.3-gompi-1.4.10.eb is not building the dynamic FFTW libraries. For this I think the fix would be to change configopts from this: common_configopts = "--enable-threads --enable-openmp --with-pic" to common_configopts = "--enable-threads --enable-openmp --with-pic

Re: [easybuild] FFTW dynamic libraries?

2016-10-13 Thread Pablo Escobar Lopez
neth Hoste : > Hi Pablo, > > On 13/10/16 11:48, Pablo Escobar Lopez wrote: > > Hi, > > I have noticed that FFTW-3.3.3-gompi-1.4.10.eb is not building the > dynamic FFTW libraries. For this I think the fix would be to change > configopts from this: > > common_configopts

Re: [easybuild] Lua modules and Lmod

2016-08-11 Thread Pablo Escobar Lopez
Hi Maxime, maybe this simple example showing how to add a new cli flag to easybuild can help you as reference https://github.com/hpcugent/easybuild-framework/pull/1250/files regards, Pablo. 2016-08-11 15:51 GMT+02:00 Maxime Boissonneault < maxime.boissonnea...@calculquebec.ca>: > Hi Kenneth, >

Re: [easybuild] COMSOL, Feko, ..

2016-08-17 Thread Pablo Escobar Lopez
here you have the one I use for Schrodinger https://github.com/hpcugent/easybuild-easyconfigs/pull/762 I suggest you to look for in the list of open pull requests. Maybe you can find some working or semi-working easyconfigs there which hasn't been merged yet https://github.com/hpcugent/easybuild-e

Re: [easybuild] easybuild -devel files for users?

2016-10-23 Thread Pablo Escobar Lopez
wouldn't make sense if compiler modules provide $CC $CXX and Co. by default? 2016-10-22 23:59 GMT+02:00 Alan O'Cais : > Maybe I'm misunderstanding but that is pretty much exactly why I 'created' > the trivial buildenv easyblock. The users just load the module that gets > created and they can s

Re: [easybuild] Has anyone created EB files for the Intel 2017 compilers?

2016-11-03 Thread Pablo Escobar Lopez
Hi Ole, Could you share your iomkl easyconfig using the latest intel2017 compiler? regards, Pablo. 2016-11-03 12:07 GMT+01:00 Fotis Georgatos : > Hi Ole, all, > > On Nov 2, 2016, at 2:33 PM, Ole Holm Nielsen > wrote: > > On 11/02/2016 12:52 PM, Åke Sandgren wrote: > >> env INTEL_LICENSE_FILE=p

Re: [easybuild] Has anyone created EB files for the Intel 2017 compilers?

2016-11-03 Thread Pablo Escobar Lopez
tant Professor of Chemical and Biomolecular Engineering > Advanced Computing Center for Research and Education (ACCRE) > Vanderbilt University - Hill Center 201 > (615)-875-9137 > www.accre.vanderbilt.edu > > On Nov 3 2016, at 6:23 am, Pablo Escobar Lopez < > pablo.escobarlo...@uni

Re: [easybuild] How to hide modules at the Lmod level?

2016-11-19 Thread Pablo Escobar Lopez
Hi Ole, I think Lmod 6.x doesn't support using a modulerc file. This feature was added in latest Lmod 7.0. See the changelog here https://github.com/TACC/Lmod What Lmod 6.x supports is hidding a module if the version in the module name starts by dot. e.g. a module like "zlib/.1.2.8" would be hidd

Re: [easybuild] How to hide modules at the Lmod level?

2016-11-19 Thread Pablo Escobar Lopez
2016-11-19 15:44 GMT+01:00 Ole Holm Nielsen : > > > IMHO, the --hidden option ought to be the EB default for all "system" > modules which are irrelevant to end users. > > I think that deciding what modules are irrelevant for users is something subjective which depends on the site/admin/users prefe

Re: [easybuild] R extra packages

2016-12-17 Thread Pablo Escobar Lopez
Personally I would not recommend the approach of adding a dedicated easyconfig for each R package. I think it would be hard to maintain specially when defining the dependency chain. Have you look at this? https://github.com/fgeorgatos/easybuild.experimental/tree/master/users/pneerincx Using that

Re: [easybuild] HPL without OFED

2016-12-20 Thread Pablo Escobar Lopez
Hi David, You won't find many easyconfigs using the "-no-OFED" toolchains and goalf-1.1.0 is quite old. I don't think it's a good choice specially if you are starting a new installation. I would recommend that you use one of the foss toolchains ( https://github.com/hpcugent/easybuild-easyconfigs/

Re: [easybuild] R extra packages

2016-12-20 Thread Pablo Escobar Lopez
age > > 4. Run the script generateEasyConfig.R (Any specific parameters you > used) > > 5. Verify easyconfig for R packages and rebuild them with Easybuild > > > > *From:* easybuild-requ...@lists.ugent.be [mailto:easybuild-request@list > s.ugent.be] *On

Re: [easybuild] Fwd: [Open MPI Announce] Open MPI v2.0.2 released

2017-02-01 Thread Pablo Escobar Lopez
btw, I have iomkl/2017.01 with OpenMPI/2.0.1-iccifort-2017.1.132-GCC-5.4.0-2.26 and I had to apply this patch to be able to compile it with slurm support https://www.mail-archive.com/users@lists.open-mpi.org/msg30048.html I suppose this is fixed in 2.0.2 2017-02-01 15:01 GMT+01:00 Kenneth Hoste :

Re: [easybuild] R foss threads question

2017-02-02 Thread Pablo Escobar Lopez
Hi Jure, I have experienced similar issues in the past. I think this depends on the R library you use for parallelization but I don't remember the details. I suggest that you also define OPENBLAS_NUM_THREADS with the same value as OMP_NUM_THREADS. Defining both env vars with the same value should

Re: [easybuild] Bootstrap specific EasyBuild version

2017-04-05 Thread Pablo Escobar Lopez
some time ago I did some testing to see how easybuild could be bootstrapped using conda. This should work in any machine even if you don't have a supported python version or a modules tool available $> curl -o /tmp/Miniconda2-latest-Linux-x86_64.sh https://repo.continuum.io/miniconda/Miniconda2-la

Re: [easybuild] Bootstrap specific EasyBuild version

2017-04-05 Thread Pablo Escobar Lopez
p.s. I haven't specified it and probably it's not obvious for those not familiar with pip but during the "pip install" step you can choose which easybuild version you want to install E.g. $> pip install easybuild==3.0.0 2017-04-05 20:24 GMT+02:00 Pablo Escobar Lopez :

Re: [easybuild] Easybuild R.3.4.0 is available

2017-04-27 Thread Pablo Escobar Lopez
2017-04-27 14:25 GMT+02:00 Benjamin Evans : > > I noticed you have qiime in the list of installed modules. I know that a > full qiime from source easyconfig has been on the wishlist for a while. > > This one works for me even it's not "clean" to merge https://github.com/hpcugent/easybuild-easyconf

Re: [easybuild] RE: support for tmolex and tcoffee

2017-06-12 Thread Pablo Escobar Lopez
Hi Shahzeb, here you have ;) https://github.com/hpcugent/easybuild-easyconfigs/pull/4709/files 2017-06-12 17:25 GMT+02:00 Kenneth Hoste : > Hi Shahzeb, > > On 12/06/2017 17:16, Siddiqui, Shahzeb wrote: > > I haven’t heard any response. Does anyone have easyconfig for these > packages that they

Re: [easybuild] need help to write easyconfig file for fall3d

2017-07-25 Thread Pablo Escobar Lopez
Hi Yann, Try doing this: prebuildopts = 'export SCRIPTDIR=%(installdir)s && ' preinstallopts = 'export SCRIPTDIR=%(installdir)s && ' Pablo. 2017-07-25 10:38 GMT+02:00 Yann Sagon : > Dear users, > > I'm trying to create an easyconfig file for fall3d. > > The first problem with this software i

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