Basic Usage

The spack command has many subcommands. You’ll only need a small subset of them for typical usage.

Note that Spack colorizes output. less -R should be used with Spack to maintain this colorization. E.g.:

$ spack find | less -R

It is recommended that the following be put in your .bashrc file:

alias less='less -R'

Listing available packages

To install software with Spack, you need to know what software is available. You can see a list of available package names at the Package List webpage, or using the spack list command.

spack list

The spack list command prints out a list of all of the packages Spack can install:

$ spack list
abinit                           icet                   printproto           r-rjsonio
ack                              ico                    proj                 r-rmarkdown
activeharmony                    icu4c                  protobuf             r-rmysql
adept-utils                      ilmbase                proxymngr            r-rngtools
adios                            ImageMagick            psi4                 r-rodbc
adol-c                           imake                  py-3to2              r-roxygen2
allinea-forge                    inputproto             py-alabaster         r-rpostgresql
allinea-reports                  intel                  py-argcomplete       r-rsnns
ant                              intel-gpu-tools        py-astroid           r-rsqlite
antlr                            intel-parallel-studio  py-astropy           r-rstan
ape                              intltool               py-autopep8          r-rstudioapi
apex                             ior                    py-babel             r-rzmq
applewmproto                     ipopt                  py-basemap           r-sandwich
appres                           ipp                    py-beautifulsoup4    r-scales
apr                              isl                    py-biopython         r-shiny
apr-util                         itstool                py-blessings         r-sp
armadillo                        jansson                py-bottleneck        r-sparsem
arpack                           jasper                 py-cclib             r-stanheaders
arpack-ng                        jdk                    py-cdo               r-stringi
asciidoc                         jemalloc               py-cffi              r-stringr
astyle                           jpeg                   py-configparser      r-survey
atk                              jsoncpp                py-coverage          r-survival
atlas                            judy                   py-csvkit            r-tarifx
atompaw                          julia                  py-cycler            r-testit
atop                             kbproto                py-cython            r-testthat
autoconf                         kdiff3                 py-dask              r-thdata
automaded                        kealib                 py-dateutil          r-threejs
automake                         kripke                 py-dbf               r-tibble
bamtools                         launchmon              py-decorator         r-tidyr
bash                             lbxproxy               py-docutils          r-ttr
bash-completion                  lcms                   py-emcee             r-uuid
bazel                            leveldb                py-enum34            r-vcd
bbcp                             libaio                 py-epydoc            r-visnetwork
bcftools                         libapplewm             py-flake8            r-whisker
bdftopcf                         libarchive             py-funcsigs          r-withr
bdw-gc                           libatomic-ops          py-genders           r-xgboost
bear                             libcerf                py-genshi            r-xlconnect
bedtools2                        libcircle              py-gnuplot           r-xlconnectjars
beforelight                      libctl                 py-h5py              r-xlsx
bertini                          libdmx                 py-imagesize         r-xlsxjars
bib2xhtml                        libdrm                 py-iminuit           r-xml
bigreqsproto                     libdwarf               py-ipython           r-xtable
binutils                         libedit                py-jdcal             r-xts
bison                            libelf                 py-jinja2            r-yaml
bitmap                           libemos                py-lockfile          r-zoo
bliss                            libepoxy               py-logilab-common    raja
blitz                            libevent               py-macs2             randrproto
boost                            libffi                 py-mako              ravel
bowtie2                          libfontenc             py-markdown          readline
boxlib                           libfs                  py-markupsafe        recordproto
bpp-core                         libgcrypt              py-matplotlib        rename
bpp-phyl                         libgd                  py-mccabe            rendercheck
bpp-seq                          libgpg-error           py-meep              renderproto
bpp-suite                        libgtextutils          py-mistune           resourceproto
bwa                              libhio                 py-mock              rgb
bzip2                            libice                 py-mpi4py            root
c-blosc                          libiconv               py-mpmath            rose
cairo                            libint                 py-mx                rstart
caliper                          libjpeg-turbo          py-mysqldb1          rsync
callpath                         libjson-c              py-nestle            ruby
cantera                          liblbxutil             py-netcdf            rust
cask                             libmesh                py-networkx          rust-bindgen
catch                            libmng                 py-nose              SAMRAI
cblas                            libmonitor             py-numexpr           samtools
cbtf                             libNBC                 py-numpy             sbt
cbtf-argonavis                   liboldx                py-openpyxl          scalasca
cbtf-krell                       libpciaccess           py-ordereddict       scons
cbtf-lanl                        libpng                 py-pandas            scorep
cdd                              libpthread-stubs       py-pathspec          scotch
cddlib                           libquo                 py-pbr               scr
cdo                              libsigsegv             py-periodictable     screen
cereal                           libsm                  py-pexpect           scripts
cfitsio                          libsodium              py-phonopy           scrnsaverproto
cgal                             libspatialindex        py-pil               sdl2
cgm                              libsplash              py-pillow            sdl2_image
cgns                             libtermkey             py-ply               sed
charm                            libtiff                py-pmw               seqtk
cityhash                         libtool                py-prettytable       serf
cleverleaf                       libunistring           py-proj              sessreg
clhep                            libunwind              py-protobuf          setxkbmap
cloog                            libuuid                py-pudb              showfont
cmake                            libuv                  py-py                silo
cmocka                           libvterm               py-py2cairo          slepc
cmor                             libwebsockets          py-py2neo            smproxy
cnmem                            libwindowswm           py-pychecker         snappy
compiz                           libx11                 py-pycodestyle       sowing
compositeproto                   libxau                 py-pycparser         spark
constype                         libxaw                 py-pydatalog         sparsehash
converge                         libxaw3d               py-pyelftools        spdlog
coreutils                        libxc                  py-pyflakes          spindle
cp2k                             libxcb                 py-pygments          spot
cppcheck                         libxcomposite          py-pygobject         sqlite
cppunit                          libxcursor             py-pygtk             star-ccm-plus
cram                             libxdamage             py-pylint            stat
cryptopp                         libxdmcp               py-pypar             stream
cscope                           libxevie               py-pyparsing         sublime-text
cube                             libxext                py-pyqt              subversion
cuda                             libxfixes              py-pyside            suite-sparse
curl                             libxfont               py-pytables          sundials
czmq                             libxfont2              py-pytest            superlu
daal                             libxfontcache          py-python-daemon     superlu-dist
dakota                           libxft                 py-pytz              superlu-mt
damageproto                      libxi                  py-pyyaml            swiftsim
damselfly                        libxinerama            py-restview          swig
darshan-runtime                  libxkbfile             py-rpy2              symengine
darshan-util                     libxkbui               py-rtree             sympol
datamash                         libxml2                py-scientificpython  szip
dbus                             libxmu                 py-scikit-image      tar
dealii                           libxp                  py-scikit-learn      task
dia                              libxpm                 py-scipy             taskd
dmxproto                         libxpresent            py-setuptools        tau
docbook-xml                      libxprintapputil       py-shiboken          tbb
docbook-xsl                      libxprintutil          py-sip               tcl
doxygen                          libxrandr              py-six               tetgen
dri2proto                        libxrender             py-sncosmo           tethex
dri3proto                        libxres                py-snowballstemmer   texinfo
dtcmp                            libxscrnsaver          py-sphinx            texlive
dyninst                          libxshmfence           py-sphinx-rtd-theme  the_platinum_searcher
editres                          libxslt                py-SQLAlchemy        the_silver_searcher
eigen                            libxsmm                py-storm             thrift
elfutils                         libxstream             py-symengine         tinyxml
elk                              libxt                  py-sympy             tinyxml2
elpa                             libxtrap               py-tappy             tk
emacs                            libxtst                py-tuiview           tmux
encodings                        libxv                  py-twisted           tmuxinator
environment-modules              libxvmc                py-unittest2         transset
espresso                         libxxf86dga            py-unittest2py3k     trapproto
etsf_io                          libxxf86misc           py-urwid             tree
everytrace                       libxxf86vm             py-virtualenv        triangle
everytrace-example               likwid                 py-wcsaxes           trilinos
evieext                          listres                py-wheel             turbomole
exodusii                         llvm                   py-xlrd              twm
exonerate                        llvm-lld               py-xpyb              uberftp
expat                            lmdb                   py-yapf              udunits2
extrae                           lmod                   py-yt                uncrustify
exuberant-ctags                  lndir                  python               unibilium
fastqc                           lrslib                 qhull                unison
fastx_toolkit                    lrzip                  qrupdate             unixodbc
fenics                           lua                    qt                   util-linux
ferret                           lua-luafilesystem      qt-creator           util-macros
fftw                             lua-luaposix           qthreads             uuid
fish                             LuaJIT                 R                    valgrind
fixesproto                       luit                   r-abind              veclibfort
flex                             lulesh                 r-assertthat         videoproto
flint                            lwgrp                  r-base64enc          viewres
fltk                             lwm2                   r-bh                 vim
flux                             lz4                    r-BiocGenerics       visit
foam-extend                      lzma                   r-bitops             vizglow
font-adobe-100dpi                lzo                    r-boot               vtk
font-adobe-75dpi                 m4                     r-brew               wannier90
font-adobe-utopia-100dpi         mafft                  r-c50                wget
font-adobe-utopia-75dpi          magics                 r-car                windowswmproto
font-adobe-utopia-type1          makedepend             r-caret              wx
font-alias                       mariadb                r-catools            wxpropgrid
font-arabic-misc                 matio                  r-chron              x11perf
font-bh-100dpi                   maven                  r-class              xauth
font-bh-75dpi                    mbedtls                r-cluster            xbacklight
font-bh-lucidatypewriter-100dpi  meep                   r-codetools          xbiff
font-bh-lucidatypewriter-75dpi   memaxes                r-colorspace         xbitmaps
font-bh-ttf                      mercurial              r-crayon             xcalc
font-bh-type1                    mesa                   r-cubature           xcb-demo
font-bitstream-100dpi            metis                  r-curl               xcb-proto
font-bitstream-75dpi             mfem                   r-datatable          xcb-util
font-bitstream-speedo            Mitos                  r-dbi                xcb-util-cursor
font-bitstream-type1             mkfontdir              r-deoptim            xcb-util-errors
font-cronyx-cyrillic             mkfontscale            r-devtools           xcb-util-image
font-cursor-misc                 mkl                    r-diagrammer         xcb-util-keysyms
font-daewoo-misc                 moab                   r-dichromat          xcb-util-renderutil
font-dec-misc                    mpc                    r-digest             xcb-util-wm
font-ibm-type1                   mpe2                   r-doparallel         xclipboard
font-isas-misc                   mpfr                   r-dplyr              xclock
font-jis-misc                    mpibash                r-dt                 xcmiscproto
font-micro-misc                  mpich                  r-dygraphs           xcmsdb
font-misc-cyrillic               mpileaks               r-e1071              xcompmgr
font-misc-ethiopic               mpip                   r-evaluate           xconsole
font-misc-meltho                 mpir                   r-filehash           xcursor-themes
font-misc-misc                   mrnet                  r-foreach            xcursorgen
font-mutt-misc                   msgpack-c              r-foreign            xdbedizzy
font-schumacher-misc             mumps                  r-formatr            xditview
font-screen-cyrillic             munge                  r-formula            xdm
font-sony-misc                   muparser               r-gdata              xdpyinfo
font-sun-misc                    muster                 r-geosphere          xdriinfo
font-util                        mvapich2               r-ggmap              xedit
font-winitzki-cyrillic           mxml                   r-ggplot2            xerces-c
font-xfree86-type1               nag                    r-ggvis              xev
fontcacheproto                   nano                   r-gistr              xextproto
fontconfig                       nasm                   r-git2r              xeyes
fontsproto                       nauty                  r-glmnet             xf86bigfontproto
fonttosfnt                       nccmp                  r-googlevis          xf86dga
freetype                         ncdu                   r-gridbase           xf86dgaproto
fslsfonts                        ncl                    r-gridextra          xf86driproto
fstobdf                          nco                    r-gtable             xf86miscproto
gasnet                           ncurses                r-gtools             xf86rushproto
gawk                             ncview                 r-hexbin             xf86vidmodeproto
gbenchmark                       ndiff                  r-highr              xfd
gcc                              netcdf                 r-htmltools          xfindproxy
gccmakedep                       netcdf-cxx             r-htmlwidgets        xfontsel
gconf                            netcdf-cxx4            r-httpuv             xfs
gdal                             netcdf-fortran         r-httr               xfsinfo
gdb                              netgauge               r-igraph             xfwp
gdk-pixbuf                       netlib-lapack          r-influencer         xgamma
geant4                           netlib-scalapack       r-inline             xgc
geos                             nettle                 r-irdisplay          xhost
gettext                          nextflow               r-irkernel           xineramaproto
gflags                           nfft                   r-irlba              xinit
ghostscript                      ninja                  r-iterators          xinput
ghostscript-fonts                nmap                   r-jpeg               xkbcomp
giflib                           numdiff                r-jsonlite           xkbdata
git                              nwchem                 r-knitr              xkbevd
git-lfs                          ocaml                  r-labeling           xkbprint
gl2ps                            oce                    r-lattice            xkbutils
glew                             oclock                 r-lazyeval           xkeyboard-config
glib                             octave                 r-leaflet            xkill
glm                              octave-splines         r-lme4               xload
global                           octopus                r-lmtest             xlogo
globus_toolkit                   ompss                  r-lubridate          xlsatoms
glog                             ompt-openmp            r-magic              xlsclients
glpk                             opari2                 r-magrittr           xlsfonts
glproto                          openblas               r-mapproj            xmag
gmake                            opencoarrays           r-maps               xman
gmp                              opencv                 r-maptools           xmessage
gmsh                             openexr                r-markdown           xmh
gnu-prolog                       openjpeg               r-mass               xmlto
gnuplot                          openmpi                r-matrix             xmodmap
gnutls                           openscenegraph         r-matrixmodels       xmore
go                               openspeedshop          r-memoise            xorg-cf-files
go-bootstrap                     openssl                r-mgcv               xorg-docs
gobject-introspection            opium                  r-mime               xorg-gtest
googletest                       osu-micro-benchmarks   r-minqa              xorg-server
gource                           otf                    r-multcomp           xorg-sgml-doctools
gperf                            otf2                   r-munsell            xphelloworld
gperftools                       p4est                  r-mvtnorm            xplsprinters
grackle                          panda                  r-ncdf4              xpr
grandr                           pango                  r-networkd3          xprehashprinterlist
graphlib                         papi                   r-nlme               xprop
graphviz                         paradiseo              r-nloptr             xproto
grib-api                         parallel               r-nmf                xproxymanagementprotocol
gromacs                          parallel-netcdf        r-nnet               xrandr
gsl                              paraver                r-np                 xrdb
gtkplus                          paraview               r-openssl            xrefresh
gts                              parmetis               r-packrat            xrootd
guile                            parmgridgen            r-partykit           xrx
h5hut                            parpack                r-pbdzmq             xscope
hadoop                           patch                  r-pbkrtest           xsdktrilinos
harfbuzz                         patchelf               r-pkgmaker           xset
harminv                          pcre                   r-plotrix            xsetmode
hdf                              pcre2                  r-plyr               xsetpointer
hdf5                             pdt                    r-png                xsetroot
hdf5-blosc                       perl                   r-praise             xsm
help2man                         petsc                  r-proto              xstdcmap
hepmc                            pexsi                  r-pryr               xtrans
heppdt                           pfft                   r-quantmod           xtrap
hmmer                            pflotran               r-quantreg           xts
hoomd-blue                       pgi                    r-R6                 xvidtune
hpctoolkit                       pidx                   r-randomforest       xvinfo
hpctoolkit-externals             piranha                r-raster             xwd
hpl                              pixman                 r-rbokeh             xwininfo
hpx5                             pkg-config             r-rcolorbrewer       xwud
hsakmt                           plumed                 r-rcpp               xz
htop                             pmgr_collective        r-rcppeigen          yaml-cpp
htslib                           pngwriter              r-registry           yasm
hub                              polymake               r-repr               yorick
hwloc                            porta                  r-reshape2           zeromq
hydra                            postgresql             r-rgooglemaps        zfp
hypre                            ppl                    r-rinside            zlib
ibmisc                           prank                  r-rjava              zoltan
iceauth                          presentproto           r-rjson              zsh

The packages are listed by name in alphabetical order. A pattern to match with no wildcards, * or ?, will be treated as though it started and ended with *, so util is equivalent to *util*. All patterns will be treated as case-insensitive. You can also add the -d to search the description of the package in addition to the name. Some examples:

All packages whose names contain “sql”:

$ spack list sql
postgresql  py-mysqldb1  py-SQLAlchemy  r-rmysql  r-rpostgresql  r-rsqlite  sqlite

All packages whose names or descriptions contain documentation:

$ spack list --search-description documentation
compositeproto  gflags       py-alabaster  py-markdown  r-rcpp      r-stanheaders  xorg-docs
damageproto     libxfixes    py-docutils   py-sphinx    r-rinside   sowing         xorg-sgml-doctools
doxygen         libxpresent  py-epydoc     r-ggplot2    r-roxygen2  texinfo

spack info

To get more information on a particular package from spack list, use spack info. Just supply the name of a package:

$ spack info mpich
AutotoolsPackage:    mpich
Homepage:            http://www.mpich.org

Safe versions:  
    3.2      http://www.mpich.org/static/downloads/3.2/mpich-3.2.tar.gz
    3.1.4    http://www.mpich.org/static/downloads/3.1.4/mpich-3.1.4.tar.gz
    3.1.3    http://www.mpich.org/static/downloads/3.1.3/mpich-3.1.3.tar.gz
    3.1.2    http://www.mpich.org/static/downloads/3.1.2/mpich-3.1.2.tar.gz
    3.1.1    http://www.mpich.org/static/downloads/3.1.1/mpich-3.1.1.tar.gz
    3.1      http://www.mpich.org/static/downloads/3.1/mpich-3.1.tar.gz
    3.0.4    http://www.mpich.org/static/downloads/3.0.4/mpich-3.0.4.tar.gz

Variants:
    Name     Default   Description

    hydra    on        Build the hydra process manager
    pmi      on        Build with PMI support
    romio    on        Enable ROMIO MPI I/O implementation
    verbs    off       Build support for OpenFabrics verbs.

Installation Phases:
    autoreconf    configure    build    install

Build Dependencies:
    None

Link Dependencies:
    None

Run Dependencies:
    None

Virtual Packages: 
    mpich@3: provides mpi@:3.0
    mpich@1: provides mpi@:1.3

Description:
    MPICH is a high performance and widely portable implementation of the
    Message Passing Interface (MPI) standard.

Most of the information is self-explanatory. The safe versions are versions that Spack knows the checksum for, and it will use the checksum to verify that these versions download without errors or viruses.

Dependencies and virtual dependencies are described in more detail later.

spack versions

To see more available versions of a package, run spack versions. For example:

$ spack versions libelf
==> Safe versions (already checksummed):
  0.8.13  0.8.12
==> Remote versions (not yet checksummed):
  0.8.11  0.8.10  0.8.9  0.8.8  0.8.7  0.8.6  0.8.5  0.8.4  0.8.3  0.8.2  0.8.0  0.7.0  0.6.4  0.5.2

There are two sections in the output. Safe versions are versions for which Spack has a checksum on file. It can verify that these versions are downloaded correctly.

In many cases, Spack can also show you what versions are available out on the web—these are remote versions. Spack gets this information by scraping it directly from package web pages. Depending on the package and how its releases are organized, Spack may or may not be able to find remote versions.

Installing and uninstalling

spack install

spack install will install any package shown by spack list. For example, To install the latest version of the mpileaks package, you might type this:

$ spack install mpileaks

If mpileaks depends on other packages, Spack will install the dependencies first. It then fetches the mpileaks tarball, expands it, verifies that it was downloaded without errors, builds it, and installs it in its own directory under $SPACK_ROOT/opt. You’ll see a number of messages from spack, a lot of build output, and a message that the packages is installed:

$ spack install mpileaks
==> Installing mpileaks
==> mpich is already installed in ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/mpich@3.0.4.
==> callpath is already installed in ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/callpath@1.0.2-5dce4318.
==> adept-utils is already installed in ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/adept-utils@1.0-5adef8da.
==> Trying to fetch from https://github.com/hpc/mpileaks/releases/download/v1.0/mpileaks-1.0.tar.gz
######################################################################## 100.0%
==> Staging archive: ~/spack/var/spack/stage/mpileaks@1.0%gcc@4.4.7 arch=linux-debian7-x86_64-59f6ad23/mpileaks-1.0.tar.gz
==> Created stage in ~/spack/var/spack/stage/mpileaks@1.0%gcc@4.4.7 arch=linux-debian7-x86_64-59f6ad23.
==> No patches needed for mpileaks.
==> Building mpileaks.

... build output ...

==> Successfully installed mpileaks.
  Fetch: 2.16s.  Build: 9.82s.  Total: 11.98s.
[+] ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/mpileaks@1.0-59f6ad23

The last line, with the [+], indicates where the package is installed.

Building a specific version

Spack can also build specific versions of a package. To do this, just add @ after the package name, followed by a version:

$ spack install mpich@3.0.4

Any number of versions of the same package can be installed at once without interfering with each other. This is good for multi-user sites, as installing a version that one user needs will not disrupt existing installations for other users.

In addition to different versions, Spack can customize the compiler, compile-time options (variants), compiler flags, and platform (for cross compiles) of an installation. Spack is unique in that it can also configure the dependencies a package is built with. For example, two configurations of the same version of a package, one built with boost 1.39.0, and the other version built with version 1.43.0, can coexist.

This can all be done on the command line using the spec syntax. Spack calls the descriptor used to refer to a particular package configuration a spec. In the commands above, mpileaks and mpileaks@3.0.4 are both valid specs. We’ll talk more about how you can use them to customize an installation in Specs & dependencies.

spack uninstall

To uninstall a package, type spack uninstall <package>. This will ask the user for confirmation before completely removing the directory in which the package was installed.

$ spack uninstall mpich

If there are still installed packages that depend on the package to be uninstalled, spack will refuse to uninstall it.

To uninstall a package and every package that depends on it, you may give the --dependents option.

$ spack uninstall --dependents mpich

will display a list of all the packages that depend on mpich and, upon confirmation, will uninstall them in the right order.

A command like

$ spack uninstall mpich

may be ambiguous if multiple mpich configurations are installed. For example, if both mpich@3.0.2 and mpich@3.1 are installed, mpich could refer to either one. Because it cannot determine which one to uninstall, Spack will ask you either to provide a version number to remove the ambiguity or use the --all option to uninstall all of the matching packages.

You may force uninstall a package with the --force option

$ spack uninstall --force mpich

but you risk breaking other installed packages. In general, it is safer to remove dependent packages before removing their dependencies or use the --dependents option.

Non-Downloadable Tarballs

The tarballs for some packages cannot be automatically downloaded by Spack. This could be for a number of reasons:

  1. The author requires users to manually accept a license agreement before downloading (jdk and galahad).
  2. The software is proprietary and cannot be downloaded on the open Internet.

To install these packages, one must create a mirror and manually add the tarballs in question to it (see Mirrors):

  1. Create a directory for the mirror. You can create this directory anywhere you like, it does not have to be inside ~/.spack:

    $ mkdir ~/.spack/manual_mirror
    
  2. Register the mirror with Spack by creating ~/.spack/mirrors.yaml:

    mirrors:
      manual: file://~/.spack/manual_mirror
    
  3. Put your tarballs in it. Tarballs should be named <package>/<package>-<version>.tar.gz. For example:

    $ ls -l manual_mirror/galahad
    
    -rw-------. 1 me me 11657206 Jun 21 19:25 galahad-2.60003.tar.gz
    
  4. Install as usual:

    $ spack install galahad
    

Seeing installed packages

We know that spack list shows you the names of available packages, but how do you figure out which are already installed?

spack find

spack find shows the specs of installed packages. A spec is like a name, but it has a version, compiler, architecture, and build options associated with it. In spack, you can have many installations of the same package with different specs.

Running spack find with no arguments lists installed packages:

$ spack find
==> 74 installed packages.
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
ImageMagick@6.8.9-10  libdwarf@20130729  py-dateutil@2.4.0
adept-utils@1.0       libdwarf@20130729  py-ipython@2.3.1
atk@2.14.0            libelf@0.8.12      py-matplotlib@1.4.2
boost@1.55.0          libelf@0.8.13      py-nose@1.3.4
bzip2@1.0.6           libffi@3.1         py-numpy@1.9.1
cairo@1.14.0          libmng@2.0.2       py-pygments@2.0.1
callpath@1.0.2        libpng@1.6.16      py-pyparsing@2.0.3
cmake@3.0.2           libtiff@4.0.3      py-pyside@1.2.2
dbus@1.8.6            libtool@2.4.2      py-pytz@2014.10
dbus@1.9.0            libxcb@1.11        py-setuptools@11.3.1
dyninst@8.1.2         libxml2@2.9.2      py-six@1.9.0
fontconfig@2.11.1     libxml2@2.9.2      python@2.7.8
freetype@2.5.3        llvm@3.0           qhull@1.0
gdk-pixbuf@2.31.2     memaxes@0.5        qt@4.8.6
glib@2.42.1           mesa@8.0.5         qt@5.4.0
graphlib@2.0.0        mpich@3.0.4        readline@6.3
gtkplus@2.24.25       mpileaks@1.0       sqlite@3.8.5
harfbuzz@0.9.37       mrnet@4.1.0        stat@2.1.0
hdf5@1.8.13           ncurses@5.9        tcl@8.6.3
icu@54.1              netcdf@4.3.3       tk@src
jpeg@9a               openssl@1.0.1h     vtk@6.1.0
launchmon@1.0.1       pango@1.36.8       xcb-proto@1.11
lcms@2.6              pixman@0.32.6      xz@5.2.0
libdrm@2.4.33         py-dateutil@2.4.0  zlib@1.2.8

-- linux-debian7-x86_64 / gcc@4.9.2 --------------------------------
libelf@0.8.10  mpich@3.0.4

Packages are divided into groups according to their architecture and compiler. Within each group, Spack tries to keep the view simple, and only shows the version of installed packages.

spack find can filter the package list based on the package name, spec, or a number of properties of their installation status. For example, missing dependencies of a spec can be shown with --missing, packages which were explicitly installed with spack install <package> can be singled out with --explicit and those which have been pulled in only as dependencies with --implicit.

In some cases, there may be different configurations of the same version of a package installed. For example, there are two installations of libdwarf@20130729 above. We can look at them in more detail using spack find --deps, and by asking only to show libdwarf packages:

$ spack find --deps libdwarf
==> 2 installed packages.
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
    libdwarf@20130729-d9b90962
        ^libelf@0.8.12
    libdwarf@20130729-b52fac98
        ^libelf@0.8.13

Now we see that the two instances of libdwarf depend on different versions of libelf: 0.8.12 and 0.8.13. This view can become complicated for packages with many dependencies. If you just want to know whether two packages’ dependencies differ, you can use spack find --long:

$ spack find --long libdwarf
==> 2 installed packages.
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
libdwarf@20130729-d9b90962  libdwarf@20130729-b52fac98

Now the libdwarf installs have hashes after their names. These are hashes over all of the dependencies of each package. If the hashes are the same, then the packages have the same dependency configuration.

If you want to know the path where each package is installed, you can use spack find --paths:

$ spack find --paths
==> 74 installed packages.
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
    ImageMagick@6.8.9-10  ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/ImageMagick@6.8.9-10-4df950dd
    adept-utils@1.0       ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/adept-utils@1.0-5adef8da
    atk@2.14.0            ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/atk@2.14.0-3d09ac09
    boost@1.55.0          ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/boost@1.55.0
    bzip2@1.0.6           ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/bzip2@1.0.6
    cairo@1.14.0          ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/cairo@1.14.0-fcc2ab44
    callpath@1.0.2        ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/callpath@1.0.2-5dce4318
...

And, finally, you can restrict your search to a particular package by supplying its name:

$ spack find --paths libelf
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
    libelf@0.8.11  ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/libelf@0.8.11
    libelf@0.8.12  ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/libelf@0.8.12
    libelf@0.8.13  ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/libelf@0.8.13

spack find actually does a lot more than this. You can use specs to query for specific configurations and builds of each package. If you want to find only libelf versions greater than version 0.8.12, you could say:

$ spack find libelf@0.8.12:
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
    libelf@0.8.12  libelf@0.8.13

Finding just the versions of libdwarf built with a particular version of libelf would look like this:

$ spack find --long libdwarf ^libelf@0.8.12
==> 1 installed packages.
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
libdwarf@20130729-d9b90962

We can also search for packages that have a certain attribute. For example, spack find libdwarf +debug will show only installations of libdwarf with the ‘debug’ compile-time option enabled.

The full spec syntax is discussed in detail in Specs & dependencies.

Specs & dependencies

We know that spack install, spack uninstall, and other commands take a package name with an optional version specifier. In Spack, that descriptor is called a spec. Spack uses specs to refer to a particular build configuration (or configurations) of a package. Specs are more than a package name and a version; you can use them to specify the compiler, compiler version, architecture, compile options, and dependency options for a build. In this section, we’ll go over the full syntax of specs.

Here is an example of a much longer spec than we’ve seen thus far:

mpileaks @1.2:1.4 %gcc@4.7.5 +debug -qt arch=bgq_os ^callpath @1.1 %gcc@4.7.2

If provided to spack install, this will install the mpileaks library at some version between 1.2 and 1.4 (inclusive), built using gcc at version 4.7.5 for the Blue Gene/Q architecture, with debug options enabled, and without Qt support. Additionally, it says to link it with the callpath library (which it depends on), and to build callpath with gcc 4.7.2. Most specs will not be as complicated as this one, but this is a good example of what is possible with specs.

More formally, a spec consists of the following pieces:

  • Package name identifier (mpileaks above)
  • @ Optional version specifier (@1.2:1.4)
  • % Optional compiler specifier, with an optional compiler version (gcc or gcc@4.7.3)
  • + or - or ~ Optional variant specifiers (+debug, -qt, or ~qt) for boolean variants
  • name=<value> Optional variant specifiers that are not restricted to boolean variants
  • name=<value> Optional compiler flag specifiers. Valid flag names are cflags, cxxflags, fflags, cppflags, ldflags, and ldlibs.
  • target=<value> os=<value> Optional architecture specifier (target=haswell os=CNL10)
  • ^ Dependency specs (^callpath@1.1)

There are two things to notice here. The first is that specs are recursively defined. That is, each dependency after ^ is a spec itself. The second is that everything is optional except for the initial package name identifier. Users can be as vague or as specific as they want about the details of building packages, and this makes spack good for beginners and experts alike.

To really understand what’s going on above, we need to think about how software is structured. An executable or a library (these are generally the artifacts produced by building software) depends on other libraries in order to run. We can represent the relationship between a package and its dependencies as a graph. Here is the full dependency graph for mpileaks:

digraph { mpileaks -> mpich mpileaks -> callpath -> mpich callpath -> dyninst dyninst -> libdwarf -> libelf dyninst -> libelf }

Each box above is a package and each arrow represents a dependency on some other package. For example, we say that the package mpileaks depends on callpath and mpich. mpileaks also depends indirectly on dyninst, libdwarf, and libelf, in that these libraries are dependencies of callpath. To install mpileaks, Spack has to build all of these packages. Dependency graphs in Spack have to be acyclic, and the depends on relationship is directional, so this is a directed, acyclic graph or DAG.

The package name identifier in the spec is the root of some dependency DAG, and the DAG itself is implicit. Spack knows the precise dependencies among packages, but users do not need to know the full DAG structure. Each ^ in the full spec refers to some dependency of the root package. Spack will raise an error if you supply a name after ^ that the root does not actually depend on (e.g. mpileaks ^emacs@23.3).

Spack further simplifies things by only allowing one configuration of each package within any single build. Above, both mpileaks and callpath depend on mpich, but mpich appears only once in the DAG. You cannot build an mpileaks version that depends on one version of mpich and on a callpath version that depends on some other version of mpich. In general, such a configuration would likely behave unexpectedly at runtime, and Spack enforces this to ensure a consistent runtime environment.

The point of specs is to abstract this full DAG from Spack users. If a user does not care about the DAG at all, she can refer to mpileaks by simply writing mpileaks. If she knows that mpileaks indirectly uses dyninst and she wants a particular version of dyninst, then she can refer to mpileaks ^dyninst@8.1. Spack will fill in the rest when it parses the spec; the user only needs to know package names and minimal details about their relationship.

When spack prints out specs, it sorts package names alphabetically to normalize the way they are displayed, but users do not need to worry about this when they write specs. The only restriction on the order of dependencies within a spec is that they appear after the root package. For example, these two specs represent exactly the same configuration:

mpileaks ^callpath@1.0 ^libelf@0.8.3
mpileaks ^libelf@0.8.3 ^callpath@1.0

You can put all the same modifiers on dependency specs that you would put on the root spec. That is, you can specify their versions, compilers, variants, and architectures just like any other spec. Specifiers are associated with the nearest package name to their left. For example, above, @1.1 and %gcc@4.7.2 associates with the callpath package, while @1.2:1.4, %gcc@4.7.5, +debug, -qt, and target=haswell os=CNL10 all associate with the mpileaks package.

In the diagram above, mpileaks depends on mpich with an unspecified version, but packages can depend on other packages with constraints by adding more specifiers. For example, mpileaks could depend on mpich@1.2: if it can only build with version 1.2 or higher of mpich.

Below are more details about the specifiers that you can add to specs.

Version specifier

A version specifier comes somewhere after a package name and starts with @. It can be a single version, e.g. @1.0, @3, or @1.2a7. Or, it can be a range of versions, such as @1.0:1.5 (all versions between 1.0 and 1.5, inclusive). Version ranges can be open, e.g. :3 means any version up to and including 3. This would include 3.4 and 3.4.2. 4.2: means any version above and including 4.2. Finally, a version specifier can be a set of arbitrary versions, such as @1.0,1.5,1.7 (1.0, 1.5, or 1.7). When you supply such a specifier to spack install, it constrains the set of versions that Spack will install.

If the version spec is not provided, then Spack will choose one according to policies set for the particular spack installation. If the spec is ambiguous, i.e. it could match multiple versions, Spack will choose a version within the spec’s constraints according to policies set for the particular Spack installation.

Details about how versions are compared and how Spack determines if one version is less than another are discussed in the developer guide.

Compiler specifier

A compiler specifier comes somewhere after a package name and starts with %. It tells Spack what compiler(s) a particular package should be built with. After the % should come the name of some registered Spack compiler. This might include gcc, or intel, but the specific compilers available depend on the site. You can run spack compilers to get a list; more on this below.

The compiler spec can be followed by an optional compiler version. A compiler version specifier looks exactly like a package version specifier. Version specifiers will associate with the nearest package name or compiler specifier to their left in the spec.

If the compiler spec is omitted, Spack will choose a default compiler based on site policies.

Variants

Variants are named options associated with a particular package. They are optional, as each package must provide default values for each variant it makes available. Variants can be specified using a flexible parameter syntax name=<value>. For example, spack install libelf debug=True will install libelf build with debug flags. The names of particular variants available for a package depend on what was provided by the package author. spack info <package> will provide information on what build variants are available.

For compatibility with earlier versions, variants which happen to be boolean in nature can be specified by a syntax that represents turning options on and off. For example, in the previous spec we could have supplied libelf +debug with the same effect of enabling the debug compile time option for the libelf package.

Depending on the package a variant may have any default value. For libelf here, debug is False by default, and we turned it on with debug=True or +debug. If a variant is True by default you can turn it off by either adding -name or ~name to the spec.

There are two syntaxes here because, depending on context, ~ and - may mean different things. In most shells, the following will result in the shell performing home directory substitution:

mpileaks ~debug   # shell may try to substitute this!
mpileaks~debug    # use this instead

If there is a user called debug, the ~ will be incorrectly expanded. In this situation, you would want to write libelf -debug. However, - can be ambiguous when included after a package name without spaces:

mpileaks-debug     # wrong!
mpileaks -debug    # right

Spack allows the - character to be part of package names, so the above will be interpreted as a request for the mpileaks-debug package, not a request for mpileaks built without debug options. In this scenario, you should write mpileaks~debug to avoid ambiguity.

When spack normalizes specs, it prints them out with no spaces boolean variants using the backwards compatibility syntax and uses only ~ for disabled boolean variants. We allow - and spaces on the command line is provided for convenience and legibility.

Compiler Flags

Compiler flags are specified using the same syntax as non-boolean variants, but fulfill a different purpose. While the function of a variant is set by the package, compiler flags are used by the compiler wrappers to inject flags into the compile line of the build. Additionally, compiler flags are inherited by dependencies. spack install libdwarf cppflags=\"-g\" will install both libdwarf and libelf with the -g flag injected into their compile line.

Notice that the value of the compiler flags must be escape quoted on the command line. From within python files, the same spec would be specified libdwarf cppflags="-g". This is necessary because of how the shell handles the quote symbols.

The six compiler flags are injected in the order of implicit make commands in GNU Autotools. If all flags are set, the order is $cppflags $cflags|$cxxflags $ldflags <command> $ldlibs for C and C++ and $fflags $cppflags $ldflags <command> $ldlibs for Fortran.

Compiler environment variables and additional RPATHs

In the exceptional case a compiler requires setting special environment variables, like an explicit library load path. These can bet set in an extra section in the compiler configuration. The user can also specify additional RPATHs that the compiler will add to all executables generated by that compiler. This is useful for forcing certain compilers to RPATH their own runtime libraries, so that executables will run without the need to set LD_LIBRARY_PATH.

compilers:
  - compiler:
      spec: gcc@4.9.3
      paths:
        cc: /opt/gcc/bin/gcc
        c++: /opt/gcc/bin/g++
        f77: /opt/gcc/bin/gfortran
        fc: /opt/gcc/bin/gfortran
      environment:
        set:
          LD_LIBRARY_PATH : /opt/gcc/lib
      extra_rpaths:
      - /path/to/some/compiler/runtime/directory
      - /path/to/some/other/compiler/runtime/directory

Architecture specifiers

The architecture can be specified by using the reserved words target and/or os (target=x86-64 os=debian7). You can also use the triplet form of platform, operating system and processor.

$ spack install libelf arch=cray-CNL10-haswell

Users on non-Cray systems won’t have to worry about specifying the architecture. Spack will autodetect what kind of operating system is on your machine as well as the processor. For more information on how the architecture can be used on Cray machines, see Spack on Cray

Virtual dependencies

The dependence graph for mpileaks we saw above wasn’t quite accurate. mpileaks uses MPI, which is an interface that has many different implementations. Above, we showed mpileaks and callpath depending on mpich, which is one particular implementation of MPI. However, we could build either with another implementation, such as openmpi or mvapich.

Spack represents interfaces like this using virtual dependencies. The real dependency DAG for mpileaks looks like this:

digraph { mpi [color=red] mpileaks -> mpi mpileaks -> callpath -> mpi callpath -> dyninst dyninst -> libdwarf -> libelf dyninst -> libelf }

Notice that mpich has now been replaced with mpi. There is no real MPI package, but some packages provide the MPI interface, and these packages can be substituted in for mpi when mpileaks is built.

You can see what virtual packages a particular package provides by getting info on it:

$ spack info mpich
AutotoolsPackage:    mpich
Homepage:            http://www.mpich.org

Safe versions:  
    3.2      http://www.mpich.org/static/downloads/3.2/mpich-3.2.tar.gz
    3.1.4    http://www.mpich.org/static/downloads/3.1.4/mpich-3.1.4.tar.gz
    3.1.3    http://www.mpich.org/static/downloads/3.1.3/mpich-3.1.3.tar.gz
    3.1.2    http://www.mpich.org/static/downloads/3.1.2/mpich-3.1.2.tar.gz
    3.1.1    http://www.mpich.org/static/downloads/3.1.1/mpich-3.1.1.tar.gz
    3.1      http://www.mpich.org/static/downloads/3.1/mpich-3.1.tar.gz
    3.0.4    http://www.mpich.org/static/downloads/3.0.4/mpich-3.0.4.tar.gz

Variants:
    Name     Default   Description

    hydra    on        Build the hydra process manager
    pmi      on        Build with PMI support
    romio    on        Enable ROMIO MPI I/O implementation
    verbs    off       Build support for OpenFabrics verbs.

Installation Phases:
    autoreconf    configure    build    install

Build Dependencies:
    None

Link Dependencies:
    None

Run Dependencies:
    None

Virtual Packages: 
    mpich@3: provides mpi@:3.0
    mpich@1: provides mpi@:1.3

Description:
    MPICH is a high performance and widely portable implementation of the
    Message Passing Interface (MPI) standard.

Spack is unique in that its virtual packages can be versioned, just like regular packages. A particular version of a package may provide a particular version of a virtual package, and we can see above that mpich versions 1 and above provide all mpi interface versions up to 1, and mpich versions 3 and above provide mpi versions up to 3. A package can depend on a particular version of a virtual package, e.g. if an application needs MPI-2 functions, it can depend on mpi@2: to indicate that it needs some implementation that provides MPI-2 functions.

Constraining virtual packages

When installing a package that depends on a virtual package, you can opt to specify the particular provider you want to use, or you can let Spack pick. For example, if you just type this:

$ spack install mpileaks

Then spack will pick a provider for you according to site policies. If you really want a particular version, say mpich, then you could run this instead:

$ spack install mpileaks ^mpich

This forces spack to use some version of mpich for its implementation. As always, you can be even more specific and require a particular mpich version:

$ spack install mpileaks ^mpich@3

The mpileaks package in particular only needs MPI-1 commands, so any MPI implementation will do. If another package depends on mpi@2 and you try to give it an insufficient MPI implementation (e.g., one that provides only mpi@:1), then Spack will raise an error. Likewise, if you try to plug in some package that doesn’t provide MPI, Spack will raise an error.

Specifying Specs by Hash

Complicated specs can become cumbersome to enter on the command line, especially when many of the qualifications are necessary to distinguish between similar installs, for example when using the uninstall command. To avoid this, when referencing an existing spec, Spack allows you to reference specs by their hash. We previously discussed the spec hash that Spack computes. In place of a spec in any command, substitute /<hash> where <hash> is any amount from the beginning of a spec hash. If the given spec hash is sufficient to be unique, Spack will replace the reference with the spec to which it refers. Otherwise, it will prompt for a more qualified hash.

Note that this will not work to reinstall a depencency uninstalled by spack uninstall --force.

spack providers

You can see what packages provide a particular virtual package using spack providers. If you wanted to see what packages provide mpi, you would just run:

$ spack providers mpi
    intel-parallel-studio@cluster:+mpi  mpich@3:      mvapich2@2.0:  openmpi@1.7.5:
    mpich@1:                            mvapich2@1.9  openmpi@1.6.5  openmpi@2.0.0:

And if you only wanted to see packages that provide MPI-2, you would add a version specifier to the spec:

$ spack providers mpi@2
    intel-parallel-studio@cluster:+mpi  mvapich2@1.9   openmpi@1.6.5   openmpi@2.0.0:
    mpich@3:                            mvapich2@2.0:  openmpi@1.7.5:

Notice that the package versions that provide insufficient MPI versions are now filtered out.

Extensions & Python support

Spack’s installation model assumes that each package will live in its own install prefix. However, certain packages are typically installed within the directory hierarchy of other packages. For example, modules in interpreted languages like Python are typically installed in the $prefix/lib/python-2.7/site-packages directory.

Spack has support for this type of installation as well. In Spack, a package that can live inside the prefix of another package is called an extension. Suppose you have Python installed like so:

$ spack find python
==> 1 installed packages.
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
python@2.7.8

spack extensions

You can find extensions for your Python installation like this:

$ spack extensions python
==> python@2.7.8%gcc@4.4.7 arch=linux-debian7-x86_64-703c7a96
==> 36 extensions:
geos          py-ipython     py-pexpect    py-pyside            py-sip
py-basemap    py-libxml2     py-pil        py-pytz              py-six
py-biopython  py-mako        py-pmw        py-rpy2              py-sympy
py-cython     py-matplotlib  py-pychecker  py-scientificpython  py-virtualenv
py-dateutil   py-mpi4py      py-pygments   py-scikit-learn
py-epydoc     py-mx          py-pylint     py-scipy
py-gnuplot    py-nose        py-pyparsing  py-setuptools
py-h5py       py-numpy       py-pyqt       py-shiboken

==> 12 installed:
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
py-dateutil@2.4.0    py-nose@1.3.4       py-pyside@1.2.2
py-dateutil@2.4.0    py-numpy@1.9.1      py-pytz@2014.10
py-ipython@2.3.1     py-pygments@2.0.1   py-setuptools@11.3.1
py-matplotlib@1.4.2  py-pyparsing@2.0.3  py-six@1.9.0

==> None activated.

The extensions are a subset of what’s returned by spack list, and they are packages like any other. They are installed into their own prefixes, and you can see this with spack find --paths:

$ spack find --paths py-numpy
==> 1 installed packages.
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
    py-numpy@1.9.1  ~/spack/opt/linux-debian7-x86_64/gcc@4.4.7/py-numpy@1.9.1-66733244

However, even though this package is installed, you cannot use it directly when you run python:

$ spack load python
$ python
Python 2.7.8 (default, Feb 17 2015, 01:35:25)
[GCC 4.4.7 20120313 (Red Hat 4.4.7-11)] on linux2
Type "help", "copyright", "credits" or "license" for more information.
>>> import numpy
Traceback (most recent call last):
  File "<stdin>", line 1, in <module>
ImportError: No module named numpy
>>>

Extensions & Environment Modules

There are two ways to get numpy working in Python. The first is to use Shell support. You can simply use or load the module for the extension, and it will be added to the PYTHONPATH in your current shell.

For tcl modules:

$ spack load python
$ spack load py-numpy

or, for dotkit:

$ spack use python
$ spack use py-numpy

Now import numpy will succeed for as long as you keep your current session open.

Activating Extensions

It is often desirable to have certain packages always available as part of a Python installation. Spack offers a more permanent solution for this case. Instead of requiring users to load particular environment modules, you can activate the package within the Python installation:

spack activate

$ spack activate py-numpy
==> Activated extension py-setuptools@11.3.1%gcc@4.4.7 arch=linux-debian7-x86_64-3c74eb69 for python@2.7.8%gcc@4.4.7.
==> Activated extension py-nose@1.3.4%gcc@4.4.7 arch=linux-debian7-x86_64-5f70f816 for python@2.7.8%gcc@4.4.7.
==> Activated extension py-numpy@1.9.1%gcc@4.4.7 arch=linux-debian7-x86_64-66733244 for python@2.7.8%gcc@4.4.7.

Several things have happened here. The user requested that py-numpy be activated in the python installation it was built with. Spack knows that py-numpy depends on py-nose and py-setuptools, so it activated those packages first. Finally, once all dependencies were activated in the python installation, py-numpy was activated as well.

If we run spack extensions again, we now see the three new packages listed as activated:

$ spack extensions python
==> python@2.7.8%gcc@4.4.7  arch=linux-debian7-x86_64-703c7a96
==> 36 extensions:
geos          py-ipython     py-pexpect    py-pyside            py-sip
py-basemap    py-libxml2     py-pil        py-pytz              py-six
py-biopython  py-mako        py-pmw        py-rpy2              py-sympy
py-cython     py-matplotlib  py-pychecker  py-scientificpython  py-virtualenv
py-dateutil   py-mpi4py      py-pygments   py-scikit-learn
py-epydoc     py-mx          py-pylint     py-scipy
py-gnuplot    py-nose        py-pyparsing  py-setuptools
py-h5py       py-numpy       py-pyqt       py-shiboken

==> 12 installed:
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
py-dateutil@2.4.0    py-nose@1.3.4       py-pyside@1.2.2
py-dateutil@2.4.0    py-numpy@1.9.1      py-pytz@2014.10
py-ipython@2.3.1     py-pygments@2.0.1   py-setuptools@11.3.1
py-matplotlib@1.4.2  py-pyparsing@2.0.3  py-six@1.9.0

==> 3 currently activated:
-- linux-debian7-x86_64 / gcc@4.4.7 --------------------------------
py-nose@1.3.4  py-numpy@1.9.1  py-setuptools@11.3.1

Now, when a user runs python, numpy will be available for import without the user having to explicitly loaded. python@2.7.8 now acts like a system Python installation with numpy installed inside of it.

Spack accomplishes this by symbolically linking the entire prefix of the py-numpy into the prefix of the python package. To the python interpreter, it looks like numpy is installed in the site-packages directory.

The only limitation of activation is that you can only have a single version of an extension activated at a time. This is because multiple versions of the same extension would conflict if symbolically linked into the same prefix. Users who want a different version of a package can still get it by using environment modules, but they will have to explicitly load their preferred version.

spack activate --force

If, for some reason, you want to activate a package without its dependencies, you can use spack activate --force:

$ spack activate --force py-numpy
==> Activated extension py-numpy@1.9.1%gcc@4.4.7 arch=linux-debian7-x86_64-66733244 for python@2.7.8%gcc@4.4.7.

spack deactivate

We’ve seen how activating an extension can be used to set up a default version of a Python module. Obviously, you may want to change that at some point. spack deactivate is the command for this. There are several variants:

  • spack deactivate <extension> will deactivate a single extension. If another activated extension depends on this one, Spack will warn you and exit with an error.

  • spack deactivate --force <extension> deactivates an extension regardless of packages that depend on it.

  • spack deactivate --all <extension> deactivates an extension and all of its dependencies. Use --force to disregard dependents.

  • spack deactivate --all <extendee> deactivates all activated extensions of a package. For example, to deactivate all python extensions, use:

    $ spack deactivate --all python
    

Filesystem requirements

Spack currently needs to be run from a filesystem that supports flock locking semantics. Nearly all local filesystems and recent versions of NFS support this, but parallel filesystems may be mounted without flock support enabled. You can determine how your filesystems are mounted with mount -p. The output for a Lustre filesystem might look like this:

$ mount -l | grep lscratch
pilsner-mds1-lnet0@o2ib100:/lsd on /p/lscratchd type lustre (rw,nosuid,noauto,_netdev,lazystatfs,flock)
porter-mds1-lnet0@o2ib100:/lse on /p/lscratche type lustre (rw,nosuid,noauto,_netdev,lazystatfs,flock)

Note the flock option on both Lustre mounts. If you do not see this or a similar option for your filesystem, you may need ot ask your system administrator to enable flock.

This issue typically manifests with the error below:

$ ./spack find
Traceback (most recent call last):
File "./spack", line 176, in <module>
  main()
File "./spack", line 154,' in main
  return_val = command(parser, args)
File "./spack/lib/spack/spack/cmd/find.py", line 170, in find
  specs = set(spack.installed_db.query(\**q_args))
File "./spack/lib/spack/spack/database.py", line 551, in query
  with self.read_transaction():
File "./spack/lib/spack/spack/database.py", line 598, in __enter__
  if self._enter() and self._acquire_fn:
File "./spack/lib/spack/spack/database.py", line 608, in _enter
  return self._db.lock.acquire_read(self._timeout)
File "./spack/lib/spack/llnl/util/lock.py", line 103, in acquire_read
  self._lock(fcntl.LOCK_SH, timeout)   # can raise LockError.
File "./spack/lib/spack/llnl/util/lock.py", line 64, in _lock
  fcntl.lockf(self._fd, op | fcntl.LOCK_NB)
IOError: [Errno 38] Function not implemented

A nicer error message is TBD in future versions of Spack.

Getting Help

spack help

If you don’t find what you need here, the help subcommand will print out out a list of all of spack’s options and subcommands:

$ spack help
usage: spack [-h] [-d] [-D] [-k] [-m] [-p] [-v] [-s] [-V] SUBCOMMAND ...

Spack: the Supercomputing PACKage Manager.

spec expressions:
  PACKAGE [CONSTRAINTS]

    CONSTRAINTS:
      @version
      %compiler  @compiler_version
      +variant
      -variant or ~variant
      =architecture
      [^DEPENDENCY [CONSTRAINTS] ...]

positional arguments:
  SUBCOMMAND
    activate        Activate a package extension.
    arch            Print architecture information about this machine.
    bootstrap       Create a new installation of spack in another prefix
    build           Stops at build stage when installing a package, if possible
    cd              cd to spack directories in the shell.
    checksum        Checksum available versions of a package.
    clean           Remove build stage and source tarball for packages.
    compiler        Manage compilers
    compilers       List available compilers. Same as 'spack compiler list'.
    config          Get and set configuration options.
    configure       Stops at configuration stage when installing a package, if possible
    create          Create a new package file from an archive URL
    deactivate      Deactivate a package extension.
    debug           Debugging commands for troubleshooting Spack.
    dependents      Show installed packages that depend on another.
    diy             Do-It-Yourself: build from an existing source directory.
    doc             Run pydoc from within spack.
    edit            Open package files in $EDITOR
    env             Run a command with the install environment for a spec.
    extensions      List extensions for package.
    fetch           Fetch archives for packages
    find            Find installed spack packages
    flake8          Runs source code style checks on Spack. Requires flake8.
    graph           Generate graphs of package dependency relationships.
    help            Get help on spack and its commands
    info            Get detailed information on a particular package
    install         Build and install packages
    list            Print available spack packages to stdout in different formats
    load            Add package to environment using modules.
    location        Print out locations of various directories used by Spack
    md5             Calculate md5 checksums for files/urls.
    mirror          Manage mirrors.
    module          Manipulate module files
    patch           Patch expanded archive sources in preparation for install
    pkg             Query packages associated with particular git revisions.
    providers       List packages that provide a particular virtual package
    purge           Remove temporary build files and/or downloaded archives
    python          Launch an interpreter as spack would launch a command
    reindex         Rebuild Spack's package database.
    repo            Manage package source repositories.
    restage         Revert checked out package source code.
    setup           Create a configuration script and module, but don't build.
    spec            print out abstract and concrete versions of a spec.
    stage           Expand downloaded archive in preparation for install
    test            A thin wrapper around the pytest command.
    test            A thin wrapper around the pytest command.
    uninstall       Remove an installed package
    unload          Remove package from environment using module.
    unuse           Remove package from environment using dotkit.
    url-parse       Show parsing of a URL, optionally spider web for versions.
    urls            Inspect urls used by packages in spack.
    use             Add package to environment using dotkit.
    versions        List available versions of a package
    view            Produce a single-rooted directory view of a spec.

optional arguments:
  -h, --help        show this help message and exit
  -d, --debug       Write out debug logs during compile
  -D, --pdb         Run spack under the pdb debugger
  -k, --insecure    Do not check ssl certificates when downloading.
  -m, --mock        Use mock packages instead of real ones.
  -p, --profile     Profile execution using cProfile.
  -v, --verbose     Print additional output during builds
  -s, --stacktrace  Add stacktrace information to all printed statements
  -V, --version     show program's version number and exit

Adding an argument, e.g. spack help <subcommand>, will print out usage information for a particular subcommand:

$ spack help install
usage: spack install [-h] [--only {package,dependencies}] [-j JOBS]
                     [--keep-prefix] [--keep-stage] [-n] [-v] [--fake]
                     [--clean | --dirty] [--run-tests] [--log-format {junit}]
                     [--log-file LOG_FILE]
                     ...

positional arguments:
  package               spec of the package to install

optional arguments:
  -h, --help            show this help message and exit
  --only {package,dependencies}
                        Select the mode of installation. The default is to
                        install the package along with all its dependencies.
                        Alternatively one can decide to install only the
                        package or only the dependencies.
  -j JOBS, --jobs JOBS  Explicitly set number of make jobs. Default is #cpus.
  --keep-prefix         Don't remove the install prefix if installation fails.
  --keep-stage          Don't remove the build stage if installation succeeds.
  -n, --no-checksum     Do not check packages against checksum
  -v, --verbose         Display verbose build output while installing.
  --fake                Fake install. Just remove prefix and create a fake
                        file.
  --clean               Clean environment before installing package.
  --dirty               Do NOT clean environment before installing.
  --run-tests           Run package level tests during installation.
  --log-format {junit}  Format to be used for log files.
  --log-file LOG_FILE   Filename for the log file. If not passed a default
                        will be used.

Alternately, you can use spack --help in place of spack help, or spack <subcommand> --help to get help on a particular subcommand.