Wishlist - easybuilders/easybuild GitHub Wiki
Here is a list of features that are desired to have in next versions of EasyBuild: (importance of them varies according to who you ask ;-)
USER-oriented features:
- Add possibility to save the logfile somewhere even when failures happen (/tmp is not great for queue-submitted jobs!)
- interim solution is to use -ld; OK.
- ANSWER: "/tmp" was hardcoded before, now OK, issues opened for this; See #84, #695 (ref. $TMPDIR / --tmpdir)
- Consider support of "formal" language to describe package info & dependencies, eg. CUDF syntax
- http://blog.mancoosi.org
- http://www.mancoosi.org/papers/cbse11.pdf "MPM: a modular package manager"
- http://arxiv.org/abs/1109.0456 "Aligning component upgrades"
- ANSWER: may consider; TBD
- Consider category-oriented module sets (eg.
module load bioinformatics-tools) - may be done outside of EB logic, IFF the meaning is to mangle MODULEPATH? "moduleclass" can help
- ANSWER: either as said OR, produce an easyconfig with multiple dependencies; TBD
- Allow for custom-definition of easyblock paths (instead of enforcing any "a-z/" dir structure
- ANSWER: it seems to be OK w. PYTHONPATH? almost, first a-z dir needs to have "reverse" mapping (ref. ".."); TBD
- KH: the a-z trick can only be used once, other easyblocks repos must use the flat structure (cfr. https://github.com/hpcugent/easybuild/wiki/Setting-up-your-own-easyblocks-repository)
- How to organize a collection of .eb files coming from different sources? (eg. distinct git repos)
- Seen at http://joeyh.name/code/mr/ : "When updating a git repository, pull from two different upstreams and merge the two together."
- ie. can EasyBuild --robot dependency resolution support multiple paths? (yes, since v1.10)
- ANSWER: will support multiple directories; prefer to use many indeed; (v1.10 OK)
- Consider integrated support for relocatable .rpms (with --prefix), .srpms & RPM's .spec files
- in effect, let's create a handler for non "*.eb" suffixes to be managed externally; that would allow to create from eg. a .spec file (for RPMs) the equivalent .eb, then parse that stdio->stdout and spit out an easyconfig
- ANSWER: it's already supported, but in previous versions; to be cleaned up?
- extreme thought: yes, this is an extreme thought: consider module search/install extensions!
- ANSWER: or try it automatically by way of "module load" instead ;-)
- promote easybuild within bioinformatics community, esp. for "clinical or translational workflows", as described below: http://www.bioinfo-core.org/index.php/11th_Discussion-7_November_2011#Topic_2:_Managing_and_Tracking_Software_Updates_.28Led_by_Brent_Richter.29
- ANSWER: makes sense to approach communities; TBD
- support cmake-like builds (see example below)
- ANSWER: for the default case an easyblock is upcoming; TBD
- how to override certain steps ("/bin/true" is considered a hack as of now)
- ANSWER: to be discussed; first create wiki page with all the Build ports naming conventions
- Consider the bigger picture as seen at http://eniac.cyi.ac.cy/display/UserDoc/HPC+Baseline+Configuration
- ANSWER: discussed; interesting for Flamish supercomputing activities
- BENELUX collab?
- ANSWER: discussed; TBD
SYSADMIN-oriented features:
- Define the namespace "by a standard"; eg. like [https://github.com/fgeorgatos/HPC-RFC/blob/master/0001/0001.md]
- Give freedom to define the namespace format (eg. original Package names OR the lower case version)
- allow to export namespace in both UpperCase and LowerCase conventions # a post-install hook? TBD
- Support more configurable formats of version strings (check below, how other HPC sites do it)
- nested levels (ie. split version string in sub sections) (yes, via #879)
- provide hooks for gnu/gcc/intel/pgi etc strings (custom-module-namespace allows whatever nowadays)
- IDEA: For now, supply a "custom_namespace_function" variable, to define eg. modulename.lower();
- Provide some smart way to handle osdependencies like "tcsh" which may have no meaning on Debian # a particularly important case are the boost-devel vs boost-dev differences (rpm vs deb conventions)
- and for now allow escaping with --ignore-os-dependencies (--ignore-osdeps does this since ~ v1.10)
Building GROMACS-GPU
# GROMACS-GPU uses a cmake build-generator and makefiles on unix.
# To avoid confusion build in separate folder
export OPENMM_ROOT_DIR=path_to_custom_openmm_installation
mkdir build_gromacs_gpu
cd build_gromacs_gpu
cmake PATH_TO_SOURCE_DIRECTORY -DGMX_OPENMM=ON -DGMX_THREADS=OFF
make mdrun
make install-mdrun
modules namespace from various HPC sites
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Example name WHO Reference URL & Comments
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netcdf/3.6.2 TACC [http://services.tacc.utexas.edu/index.php/using-modules][](http://services.tacc.utexas.edu/index.php/using-modules][) \\ Lmod: automatic reloading of an entire module hierarchy when a single module anywhere in the hierarchy is changed.
hpc/netcdf-3.6.3_intel-11.0.083 HARVARD [http://rc.fas.harvard.edu/faq/modulelist][](http://rc.fas.harvard.edu/faq/modulelist][) \\ very long and complete list
misc-libs/netcdf/3.6.3_intel CLUMEQ [https://www.clumeq.ca/wiki/index.php/ModulesDisponiblesSurColosse][](https://www.clumeq.ca/wiki/index.php/ModulesDisponiblesSurColosse][) \\ nested layout
netcdf/intel/64/4.0 SARA [http://www.sara.nl/systems/shared/modules/][](http://www.sara.nl/systems/shared/modules/][) \\ [http://www.sara.nl/systems/lisa/news/modules-ng][](http://www.sara.nl/systems/lisa/news/modules-ng][) \\ [http://www.sara.nl/systems/lisa/news/amd64-phase1][](http://www.sara.nl/systems/lisa/news/amd64-phase1][) \\ [http://www.sara.nl/systems/lisa/news/Modules-deprecated-2011-04-04][](http://www.sara.nl/systems/lisa/news/Modules-deprecated-2011-04-04][)
[https://www.clumeq.ca/wiki/index.php/ModulesDisponiblesSurColosse][](https://www.clumeq.ca/wiki/index.php/ModulesDisponiblesSurColosse][) \\ nested layout
netcdf/gnu/64/4.0 SARA [http://www.sara.nl/systems/shared/modules/][](http://www.sara.nl/systems/shared/modules/][) \\ [http://www.sara.nl/systems/lisa/news/modules-ng][](http://www.sara.nl/systems/lisa/news/modules-ng][) \\ [http://www.sara.nl/systems/lisa/news/amd64-phase1][](http://www.sara.nl/systems/lisa/news/amd64-phase1][) \\ [http://www.sara.nl/systems/lisa/news/Modules-deprecated-2011-04-04][](http://www.sara.nl/systems/lisa/news/Modules-deprecated-2011-04-04][)
netcdf/4.0.1 UIBK [http://www.uibk.ac.at/zid/systeme/hpc-systeme/common/tutorials/modules-howto.html][](http://www.uibk.ac.at/zid/systeme/hpc-systeme/common/tutorials/modules-howto.html][) \\ PREFERRED_MC
netcdf/X.Y.Z/gnu-4.1.2 UIBK, too [http://www.uibk.ac.at/th-physik/howto/hpc/modules.html][](http://www.uibk.ac.at/th-physik/howto/hpc/modules.html][)
netcdf/X.Y.Z-gnu CSC [http://www.csc.fi/english/pages/hippu_guide/using_hippu/modules/index_html][](http://www.csc.fi/english/pages/hippu_guide/using_hippu/modules/index_html][)
ofed/qlogic/gcc/64/1.2.7 UCL [http://www.ucl.ac.uk/isd/common/research-computing/services/legion-upgrade/userguide/userenvironment][](http://www.ucl.ac.uk/isd/common/research-computing/services/legion-upgrade/userguide/userenvironment][)
netcdf/3.6.2 MIT [http://www.darwinproject.mit.edu/wiki/index.php/Compute_cluster_hardware/software_overview][](http://www.darwinproject.mit.edu/wiki/index.php/Compute_cluster_hardware/software_overview][)
netcdf/X.Y.Z MIT, too [http://coyote.mit.edu/mediawiki/index.php/Modules][](http://coyote.mit.edu/mediawiki/index.php/Modules][)
netcdf/3.6.2 CAM [http://www.hpc.cam.ac.uk/user/software.html][](http://www.hpc.cam.ac.uk/user/software.html][)
netcdf/4.0.1_nc3 UTORONTO [https://support.scinet.utoronto.ca/wiki/index.php/Software_and_Libraries][](https://support.scinet.utoronto.ca/wiki/index.php/Software_and_Libraries][)
blas/? VLSCI@AU [http://www.vlsci.org.au/documentation/software-applications][](http://www.vlsci.org.au/documentation/software-applications][)
fluent/? EPFL [http://pleiades.epfl.ch/index.php?option=com_content&task=view&id=15&Itemid=30][](http://pleiades.epfl.ch/index.php?option=com_content&task=view&id=15&Itemid=30][)
netcdf/4.0.0.3.1jg64 CSCS [http://user.cscs.ch/software_and_programming_environment/compilers_and_programming/rosa_cray_xt5/modules_framework/index.html][](http://user.cscs.ch/software_and_programming_environment/compilers_and_programming/rosa_cray_xt5/modules_framework/index.html][)
netcdf/4.1.1/pgi/10.3/64 TAMU [http://brazos.tamu.edu/software/modules.html][](http://brazos.tamu.edu/software/modules.html][)
sles10.1_gnu4.1.2_shared UTENNESSEE [http://www.nics.tennessee.edu/computing-resources/kraken/software][](http://www.nics.tennessee.edu/computing-resources/kraken/software][)
netcdf/4.0-pgi, /4.0-gcc , /4.1.1 UMICH [http://cac.engin.umich.edu/resources/software/][](http://cac.engin.umich.edu/resources/software/][)
netcdf-4.0.1 ARSC [http://www.arsc.edu/support/news/systemnews/][](http://www.arsc.edu/support/news/systemnews/][)
NetCDF/4.1.3-gnu Griffith University [http://confluence.rcs.griffith.edu.au:8080/display/GHPC/netcdf][](http://confluence.rcs.griffith.edu.au:8080/display/GHPC/netcdf][)
HMMER iCER/HPCC [https://wiki.hpcc.msu.edu/display/Bioinfo/Module+Files][](https://wiki.hpcc.msu.edu/display/Bioinfo/Module+Files][)
HMMER UPPNEX [https://www.uppnex.uu.se/installed-software][](https://www.uppnex.uu.se/installed-software][)
uberftp-client-2.6 NCSA [http://www.ncsa.illinois.edu/UserInfo/Resources/Hardware/CommonDoc/module.html][](http://www.ncsa.illinois.edu/UserInfo/Resources/Hardware/CommonDoc/module.html][)
netcdf LRZ [http://www.lrz.de/services/software/utilities/modules/deisa_details.html][](http://www.lrz.de/services/software/utilities/modules/deisa_details.html][) \\ Ref. on DEISA setup: [http://www.lrz.de/services/software/utilities/modules/deisa_details.html][](http://www.lrz.de/services/software/utilities/modules/deisa_details.html][)
globus PRACE sites [http://www.prace-ri.eu/Interactive-Access-to-HPC][](http://www.prace-ri.eu/Interactive-Access-to-HPC][)
globus/5.0.4 & GLOBUS-5.0 TACC [http://www.underworldproject.org/BuildRecipes/ranger.rst][](http://www.underworldproject.org/BuildRecipes/ranger.rst][) See Teragrid below
netcdf/4.1.2-gnu, /4.1.2-intel, /3.6.3-gnu, /3.6.3-intel cyi/euclid@ls2 [http://eniac.cyi.ac.cy/display/UserDoc/HPC+Baseline+Configuration](http://eniac.cyi.ac.cy/display/UserDoc/HPC+Baseline+Configuration)
netcdf/3.6.3-gcc, netcdf-4/4.0.1-gcclf cyi/planck [http://eniac.cyi.ac.cy/display/UserDoc/HPC+Baseline+Configuration](http://eniac.cyi.ac.cy/display/UserDoc/HPC+Baseline+Configuration)
netcdf/3.6.2-intel, /3.6.2-gnu ba@ls2 [http://eniac.cyi.ac.cy/display/UserDoc/HPC+Baseline+Configuration](http://eniac.cyi.ac.cy/display/UserDoc/HPC+Baseline+Configuration)
netcdf/4.1.3-gcc(default) cytera@ls2 [http://eniac.cyi.ac.cy/display/UserDoc/HPC+Baseline+Configuration](http://eniac.cyi.ac.cy/display/UserDoc/HPC+Baseline+Configuration)
netcdf/1.4.3-mpich2-intel-64bit FZK [http://www.google.com](http://www.google.com)
---------------------------------------------------------- --------------------- ----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
CUDF Examples
package: m4
version: 3
depends: libc6 >= 8
package: openssl
version: 11
depends: libc6 >= 18, libssl0.9.8 >= 8, zlib1g >= 1
conflicts: ssleay < 1
package: gcc
version: 4.4.4
provides: compiler
conflicts: compiler
package: icc
version: 10.2
provides: compiler
conflicts: compiler