This page describes the necessary steps for installing the login nodes **fjorm** or **thul**.

Install external packages
=========================

As root:

- create yum repository definitions (do **not** enable them)::

   # atrpms
   echo '[atrpms]' > /etc/yum.repos.d/atrpms.repo
   echo 'name=CentOS $releasever - $basearch - ATrpms' >> /etc/yum.repos.d/atrpms.repo
   echo 'baseurl=http://dl.atrpms.net/el$releasever-$basearch/atrpms/stable' >> /etc/yum.repos.d/atrpms.repo
   echo '#baseurl=http://mirrors.ircam.fr/pub/atrpms/el$releasever-$basearch/atrpms/stable' >> /etc/yum.repos.d/atrpms.repo
   echo 'gpgkey=http://ATrpms.net/RPM-GPG-KEY.atrpms' >> /etc/yum.repos.d/atrpms.repo
   echo 'gpgcheck=1' >> /etc/yum.repos.d/atrpms.repo
   echo 'enabled=0' >> /etc/yum.repos.d/atrpms.repo
   # epel
   echo '[epel]' > /etc/yum.repos.d/epel.repo
   echo 'name=CentOS $releasever - $basearch - EPEL' >> /etc/yum.repos.d/epel.repo
   echo 'baseurl=http://download.fedora.redhat.com/pub/epel/$releasever/$basearch' >> /etc/yum.repos.d/epel.repo
   echo 'gpgkey=http://download.fedora.redhat.com/pub/epel/RPM-GPG-KEY-EPEL' >> /etc/yum.repos.d/epel.repo
   echo 'gpgcheck=1' >> /etc/yum.repos.d/epel.repo
   echo 'enabled=0' >> /etc/yum.repos.d/epel.repo

- install, as root::

   yum install yum-utils
   # /var directories must be created
   yum search --enablerepo=atrpms arpack-devel
   yum search --enablerepo=epel jmol

- configure rpmbuild (as rpmbuild):

  - enable modules - add to `~/.bashrc`::

     if [ -r "/home/camp/modulefiles.sh" ]; then
         source /home/camp/modulefiles.sh
     fi

  - set the `FYS_PLATFORM` variable::

     export FYS_PLATFORM=Intel-Nehalem-el5 # thul
     export FYS_PLATFORM=AMD-Opteron-el5 # fjorm

    **Note** that this variable will be set automatically by `/home/camp/modulefiles.sh` after
    the `environment-modules` package is installed.

  - use the following ~rpmbuild/.rpmmacros::

     %disttag        el5.fys

     %packager       rpmbuild@fysik.dtu.dk
     %distribution   Fysik RPMS
     %vendor         Fysik RPMS <rpm@fysik.dtu.dk>

     %_signature     gpg
     %_gpg_path      ~/.gnupg
     %_gpg_name      Fysik RPMS

     %_topdir        /home/camp/rpmbuild/%(echo $FYS_PLATFORM)
     %_rpmdir        %{_topdir}/RPMS
     %_srcrpmdir     %{_topdir}/SRPMS
     %_svndir        /home/camp/rpmbuild/rpmbuild
     %_specdir       %{_svndir}/SPECS
     %_sourcedir     %{_svndir}/SOURCES
     %_rpmfilename   %%{NAME}-%%{VERSION}-%%{RELEASE}.%%{ARCH}.rpm
     %_builddir      /scratch/rpmbuild
     %_tmppath      %{_topdir}/BUILD

     # no debuginfo
     %debug_package %{nil}

     # don't strip (this does not fully work)
     # https://bugzilla.redhat.com/show_bug.cgi?id=219731
     %define __strip /bin/true

     %niflheim       1

  - as rpmbuild create directories::

     mkdir -p ~/${FYS_PLATFORM}/RPMS
     mkdir -p ~/${FYS_PLATFORM}/SRPMS
     mkdir -p ~/${FYS_PLATFORM}/BUILD
     mkdir -p ~/${FYS_PLATFORM}/SPECS # needed only by openmpi
     mkdir -p ~/${FYS_PLATFORM}/SOURCES # needed only by openmpi

- install official packages, as rpmbuild::

   cd ~/${FYS_PLATFORM}/RPMS
   mkdir external; cd external
   yumdownloader --resolve gcc-gfortran gcc43-c++ gcc43-gfortran blas-devel lapack-devel python-devel
   yumdownloader --resolve gnuplot libXi-devel xorg-x11-fonts-100dpi pexpect tetex-latex tkinter qt-devel
   yumdownloader --resolve openmpi openmpi-devel openmpi-libs compat-dapl libibverbs librdmacm openib
   yumdownloader --resolve pygtk2-devel gtk2-devel tk-devel agg ghostscript libtiff-devel
   yumdownloader --resolve libX11-devel libXext-devel openmotif openmotif-devel
   yum localinstall * # as root

- install `atrpms` packages, as rpmbuild (``vtk-python`` is currently unavailable 16 Apr 2009)::

   cd ~/${FYS_PLATFORM}/RPMS/external
   yumdownloader --resolve --enablerepo=atrpms vtk-python arpack-devel graphviz
   wget http://ATrpms.net/RPM-GPG-KEY.atrpms
   rpm --import RPM-GPG-KEY.atrpms # as root
   yum localinstall * # as root

- install the packages from `epel`, as rpmbuild::

   ~/${FYS_PLATFORM}/RPMS/external
   yumdownloader --resolve --enablerepo=epel jmol
   yumdownloader --resolve --enablerepo=epel environment-modules suitesparse-devel
   wget http://download.fedora.redhat.com/pub/epel/RPM-GPG-KEY-EPEL
   rpm --import RPM-GPG-KEY-EPEL # as root
   yum localinstall * # as root

- remove default openmpi::

   yum remove openmpi openmpi-libs

- edit ``/etc/yum.conf`` so it contains::

   exclude=netcdf-* netcdf3-* fftw-* fftw2-* fftw3-* python-numeric openmpi-*

- logout and login (as rpmbuild) again to activate modules settings from `~/.bashrc`.

It's time to build custom RPMS
==============================

As rpmbuild::

 cd ~/rpmbuild/SPECS

Install `Install Open64 Compiler Suite <http://www.open64.net/>`_ RPM, and deploy module file under ` ~rpmbuild/modulefiles/${FYS_PLATFORM}/open64`.
Install using **--relocate** option::

  rpm -ivh --relocate "/opt/open64"="/opt/open64/4.2.1" open64-4.2.1-0.x86_64.rpm

Note that the module file is available as svn checkout at https://svn.fysik.dtu.dk/projects/modulefiles/trunk.
**Note**: the module file should contain at least::

  prepend-path     PATH /opt/open64/4.2.1/lib/gcc-lib/x86_64-open64-linux/4.2.1 
  prepend-path     PATH /opt/open64/4.2.1/bin 
  prepend-path     LD_LIBRARY_PATH /opt/open64/4.2.1/lib/gcc-lib/x86_64-open64-linux/4.2.1 

Install icc/ifort compilers, install only the following packages from `l_cproc_p_11.1.046_intel64`::

 intel-cproc046-11.1-1.x86_64.rpm
 intel-cproidb046-11.1-1.x86_64.rpm
 intel-cprolib046-11.1-1.x86_64.rpm
 intel-cprolibdev046-11.1-1.x86_64.rpm
 intel-cprotbblib046-11.1-1.noarch.rpm
 intel-cprotbblibdev046-11.1-1.noarch.rpm
 intel-cprocsdk046-11.1-1.noarch.rpm
 intel-cproidbsdk046-11.1-1.noarch.rpm

and from `l_cprof_p_11.1.046_intel64`::

 intel-cprof046-11.1-1.x86_64.rpm
 intel-cproflib046-11.1-1.x86_64.rpm
 intel-cprofsdk046-11.1-1.noarch.rpm

, enable them (only on **thul**)::

 . /opt/intel/Compiler/11.1/046/bin/intel64/ifortvars_intel64.sh
 . /opt/intel/Compiler/11.1/046/bin/intel64/iccvars_intel64.sh

Build intel compatibility packages (only on **thul**)::

  rpmbuild -bb --with modules intel-redist.spec

**Note**: do not install the resulting RPMS on the login node. They need to be installed **only** on compute nodes.
On the login node only the module file needs to be deployed under `~rpmbuild/modulefiles`, as rpmbuild.
Note that this directory is available as svn checkout at https://svn.fysik.dtu.dk/projects/modulefiles/trunk.
Here is what need to be done for a new version of the package::

  mkdir ~rpmbuild/modulefiles/${FYS_PLATFORM}/ifort
  cp /scratch/rpmbuild/intel-11.1.046/11.1.046-1.intel64.el5.fys ~rpmbuild/modulefiles/${FYS_PLATFORM}/ifort
  cd ~rpmbuild/modulefiles/${FYS_PLATFORM}/ifort
  ln -s 11.1.046-1.intel64.el5.fys 11.1-1

**Note**: the above module file should contain at least::

  prepend-path    LD_LIBRARY_PATH      /opt/intel/Compiler/11.1/046/lib/intel64
  prepend-path    PATH                 /opt/intel/Compiler/11.1/046/bin/intel64
  prepend-path    MANPATH              /opt/intel/Compiler/11.1/046/man

Install mkl, and build mkl compatibility package (only on **thul**)::

  cd ~/rpmbuild/SOURCES
  export mkl=10.1.3.027
  mkdir ${mkl}
  cp -rp /opt/intel/mkl/${mkl}/lib ${mkl}
  cp -rp /opt/intel/mkl/${mkl}/doc ${mkl}
  tar zcf intel-redist-mkl-${mkl}.tar.gz ${mkl}

  cd ~/rpmbuild/SPECS
  rpmbuild -bb --with version1=1 --with version2=3 --with version3=027 --with modules intel-redist-mkl.spec

**Note**: do not install the resulting RPM on the login node. It needs to be installed **only** on compute nodes.
On the login node only the module file needs to be deployed under `~rpmbuild/modulefiles`, as rpmbuild.
Note that this directory is available as svn checkout at https://svn.fysik.dtu.dk/projects/modulefiles/trunk.
Here is what need to be done for a new version of the package::

  mkdir ~rpmbuild/modulefiles/${FYS_PLATFORM}/mkl
  cp /tmp/intel-mkl-${mkl}/${mkl}-1.el5.fys.em64t ~rpmbuild/modulefiles/${FYS_PLATFORM}/mkl
  cd ~rpmbuild/modulefiles/${FYS_PLATFORM}/mkl
  ln -s ${mkl}-1.el5.fys.em64t 10.1p-027

**Note**: the above module file should contain at least::

  prepend-path    LD_LIBRARY_PATH      /opt/intel/mkl/10.1.3.027/lib/em64t     

**Moreover**: `intel-*intel64*` RPMS need to be installed with *--nodeps*, so move them into a special directory::

  mkdir -p ~/${FYS_PLATFORM}/RPMS/nodeps
  mv ~/${FYS_PLATFORM}/RPMS/intel-*intel64* ~/${FYS_PLATFORM}/RPMS/nodeps

Build mkl/fftw (as root)::

  export mkl=10.1.3.027
  . /opt/intel/Compiler/11.0/083/bin/intel64/ifortvars_intel64.sh
  cd /opt/intel/mkl/${mkl}/interfaces/fftw2xf
  make libem64t
  cd /opt/intel/mkl/${mkl}/lib/em64t
  ln -s libfftw2xf_intel.a libfftw.a

Logout and login as **rpmbuild**.

Build a custom openmpi, using torque support::

  export rpmtopdir=${HOME}/${FYS_PLATFORM} # set this to _topdir value from ~/.rpmmacros
  wget http://www.open-mpi.org/software/ompi/v1.3/downloads/openmpi-1.3.3.tar.bz2 \
       -O ~/rpmbuild/SOURCES/openmpi-1.3.3.tar.bz2
  sh ./buildrpm-1.3.3-1.gfortran.sh ../SOURCES/openmpi-1.3.3.tar.bz2 2>&1 | tee buildrpm-1.3.3-1.gfortran.sh.log.${FYS_PLATFORM}
  sh ./buildrpm-1.3.3-1.gfortran43.sh ../SOURCES/openmpi-1.3.3.tar.bz2 2>&1 | tee buildrpm-1.3.3-1.gfortran43.sh.log.${FYS_PLATFORM}
  sh ./buildrpm-1.3.3-1.pathscale.sh ../SOURCES/openmpi-1.3.3.tar.bz2 2>&1 | tee buildrpm-1.3.3-1.pathscale.sh.log.${FYS_PLATFORM}
  sh ./buildrpm-1.3.3-1.ifort.sh ../SOURCES/openmpi-1.3.3.tar.bz2 2>&1 | tee buildrpm-1.3.3-1.ifort.sh.log.${FYS_PLATFORM} # thul only
  module load open64 # 24 June 2009: build fails on Nehalem with *configure: error: TM support requested but not found.  Aborting*
  sh ./buildrpm-1.3.3-1.open64.sh ../SOURCES/openmpi-1.3.3.tar.bz2 2>&1 | tee buildrpm-1.3.3-1.open64.sh.log.${FYS_PLATFORM}

**Note**: intel openmpi needs to be installed ignoring dependencies::

  rpm -ivh --nodeps --oldpackage ~rpmbuild/${FYS_PLATFORM}/RPMS/openmpi-1.3.3-1.el5.fys.ifort.11.1.x86_64.rpm 

If scripts that contain **ALL** build/install/uninstall commands (``global_install.sh`` and ``global_uninstall.sh``) need to be created,
every time after an RPM is successfully built, do::

    grep -v "#\!" install.sh >> ~/${FYS_PLATFORM}/global_install.sh
    cat uninstall.sh ~/${FYS_PLATFORM}/global_uninstall.sh | grep -v "#\!" >> ~/${FYS_PLATFORM}/global_uninstall.sh.tmp && mv -f ~/${FYS_PLATFORM}/global_uninstall.sh.tmp ~/${FYS_PLATFORM}/global_uninstall.sh
    # ignore "cat: .../global_uninstall.sh: No such ..." error when running first time

**Note** that `global_uninstall.sh` won't remove built RPM files, just will uninstall the packages.

Build the following for dacapo:
-------------------------------

- set the disttag variable for convenience::

   export disttag="el5.fys"
   modules=1

- acml::

    version1=0
    version2=1
    compiler=gfortran

    version1=0
    version2=1
    compiler=pathscale

    version1=1
    version2=0
    compiler=gfortran43 # fjorm only

    version1=1
    version2=0
    compiler=pathscale

    version1=2
    version2=0
    compiler=gfortran43

    version1=2
    version2=0
    compiler=pathscale

    version1=2
    version2=0
    compiler=ifort # thul only

    version1=3
    version2=0
    compiler=gfortran43

    version1=3
    version2=0
    compiler=open64 # fjorm only

    version1=3
    version2=0
    compiler=ifort # thul only

    rpmbuild -bb --with compiler=${compiler} --with version1=${version1} --with version2=${version1} \
                 --with modules=${modules} --with default_version acml.spec

- goto (only on **fjorm**)::

    blas_version=1.26

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin

    compiler=pathscale
    compiler_version=3.2
    compiler_libdir=/opt/pathscale/lib/3.2
    compiler_bindir=/opt/pathscale/bin

    compiler=open64 # only on fjorm
    compiler_version=4.2.1
    compiler_libdir=/opt/open64/4.2.1/lib/gcc-lib/x86_64-open64-linux/4.2.1
    compiler_bindir=/opt/open64/4.2.1/bin

    rpmbuild --bb --with compiler=${compiler} --with compiler_version=${compiler_version} \
                  --with compiler_libdir=${compiler_libdir} --with compiler_bindir=${compiler_bindir} \
                  --with modules=${modules} --with default_version=1 \
                  --with prefix=/opt/goto/${blas_version}/1.${disttag}.${compiler}.${compiler_version}.smp goto.spec

  **Note** - **1.26** version fails on Nehalem with::

     ../../../param.h:1195:21: error: division by zero in #if

- atlas::

    blas_version=3.8.3

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin

    rpmbuild --bb --with compiler=${compiler} --with compiler_version=${compiler_version} \
                  --with compiler_libdir=${compiler_libdir} --with compiler_bindir=${compiler_bindir} \
                  --with modules=${modules} --with default_version=1 \
                  --with prefix=/opt/atlas/${blas_version}/1.${disttag}.${compiler}.${compiler_version} atlas.spec

  **Note**: - **3.8.3** version fails on Opteron with open64 with::

      /scratch/rpmbuild/ATLAS/RpmObjs/..//CONFIG/src/backend/comptestC.c:5: undefined reference to `__pathscale_malloc_alg'

- `campos-dacapo-pseudopotentials <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#campos-dacapo-pseudopotentials>`_::

    rpmbuild -bb --with modules --with default_version campos-dacapo-pseudopotentials.spec

- `rasmol <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#rasmol>`_::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/RasMol/2.7.3/3.${disttag} RasMol.spec

- `cblas <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#cblas>`_::

    compiler=gfortran
    compiler_version=4.1.2
    blas=blas
    blas_version=3.0.37.el5
    blasdir=/usr/lib64

    compiler=gfortran
    compiler_version=4.1.2
    blas=acml
    blas_version=4.0.1
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib

    rpmbuild --bb  --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with prefix=/opt/cblas/2.23.3/1.${disttag}.${compiler}.${compiler_version}.${blas}.${blas_version} cblas.spec

- python-setuptools::

       rpmbuild -bb --with modules --with default_version --with prefix=/opt/python-setuptools/0.6c9/1.${disttag}.python2.4 python-setuptools.spec

- python-nose::

       rpmbuild -bb --with modules --with default_version --with prefix=/opt/python-nose/0.10.4/1.${disttag}.python2.4 python-nose.spec
       module load python-setuptools
       module load python-nose

- numpy::

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=blas
    blas_version=3.0.37.el5
    blasdir=/usr/lib64
    lapack=lapack
    lapack_version=3.0.37.el5
    lapackdir=/usr/lib64
    cblas_prefix=/opt/cblas/2.23.3/1.${disttag}.${compiler}.${compiler_version}.${blas}.${blas_version}
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=acml
    blas_version=4.0.1
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.0.1
    lapackdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    cblas_prefix=none # dotblas fails with acml
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=gfortran # Jun 23 2009: test below fails
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=mkl
    blas_version=10.1.3.027
    blasdir=/opt/intel/mkl/10.1.3.027
    lapack=mkl_lapack
    lapack_version=10.1.3.027
    lapackdir=/opt/intel/mkl/10.1.3.027
    cblas_prefix=/opt/intel/mkl/10.1.3.027
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.${blas}.${blas_version}.${lapack}.${lapack_version}

    rpmbuild --bb --with cblas_prefix=${cblas_prefix} \
                  --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                  --with compiler=${compiler} --with compiler_version=${compiler_version} \
                  --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                  --with lapack=${lapack} --with lapack_version=${lapack_version} --with lapackdir=${lapackdir} \
                  --with modules=${modules} --with default_version=1 \
                  --with prefix=/opt/numpy/1.3.0/${release} numpy.spec

  Test with::

    module load cblas-blas-gfortran64/2.23.3-1.el5.fys.gfortran.4.1.2.blas.3.0.37.el5
    module load numpy/1.3.0-1.el5.fys.gfortran.4.1.2.python2.4.blas.3.0.37.el5.lapack.3.0.37.el5
    python -c "import numpy; from numpy.core.multiarray import dot; b = numpy.ones(13, numpy.complex); dot(b, b)"
    python -c "import numpy; numpy.test()"
    module unload numpy/1.3.0-1.el5.fys.gfortran.4.1.2.python2.4.blas.3.0.37.el5.lapack.3.0.37.el5
     
    module load acml-gfortran64/4.0.1-1.el5.fys
    module load numpy/1.3.0-1.el5.fys.gfortran.4.1.2.python2.4.acml.4.0.1.acml.4.0.1
    python -c "import numpy; from numpy.core.multiarray import dot; b = numpy.ones(13, numpy.complex); dot(b, b)"
    python -c "import numpy; numpy.test()"
    module unload numpy/1.3.0-1.el5.fys.gfortran.4.1.2.python2.4.acml.4.0.1.acml.4.0.1
    module unload acml-gfortran64/4.0.1-1.el5.fys

  Load the default numpy::

    module load numpy/1.3.0-1.el5.fys.gfortran.4.1.2.python2.4.blas.3.0.37.el5.lapack.3.0.37.el5

- `gnuplot-py <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#gnuplot-py>`_::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/gnuplot-py/1.8.1/1.${disttag}.python2.4 gnuplot-py.spec

    module load gnuplot-py

- `python-numeric <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#python-numeric>`_ (we must install **24.2** version, and we keep the default version)::

    cd ~/${FYS_PLATFORM}/RPMS/external
    rpm -e --nodeps python-numeric # as root
    yumdownloader --resolve --disableexcludes=main python-numeric
    cd ~/rpmbuild/SPECS

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=blas
    blas_version=3.0.37.el5
    blasdir=/usr/lib64
    lapack=lapack
    lapack_version=3.0.37.el5
    lapackdir=/usr/lib64
    cblas_prefix=/opt/cblas/2.23.3/1.${disttag}.${compiler}.${compiler_version}.${blas}.${blas_version}
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=acml
    blas_version=4.0.1
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.0.1
    lapackdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    cblas_prefix=/opt/cblas/2.23.3/1.${disttag}.${compiler}.${compiler_version}.${blas}.${blas_version}
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.${blas}.${blas_version}.${lapack}.${lapack_version}

    rpmbuild --bb --with cblas_prefix=${cblas_prefix} \
                  --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                  --with compiler=${compiler} --with compiler_version=${compiler_version} \
                  --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                  --with lapack=${lapack} --with lapack_version=${lapack_version} --with lapackdir=${lapackdir} \
                  --with modules=${modules} --with default_version=1 \
                  --with prefix=/opt/python-numeric/24.2/${release} python-numeric.spec

  **Note**: (16 Apr 2009) currently Numeric's `test.py` results in (we ignore this error)::

    glibc detected *** python: free(): invalid next size (normal): 0x09aee970 ***

  After installing python-numeric make a very rough check::

    module load cblas-blas-gfortran64/2.23.3-1.el5.fys.gfortran.4.1.2.blas.3.0.37.el5
    module load python-numeric/24.2-4.el5.fys.gfortran.4.1.2.python2.4.blas.3.0.37.el5.lapack.3.0.37.el5
    python -c "import lapack_lite"
    ldd `rpm -ql python-numeric-24.2-4.el5.fys.gfortran.4.1.2.python2.4.blas.3.0.37.el5.lapack.3.0.37.el5 | grep lapack_lite.so`
    ldd `rpm -ql python-numeric-24.2-4.el5.fys.gfortran.4.1.2.python2.4.blas.3.0.37.el5.lapack.3.0.37.el5 | grep _dotblas.so`
    module unload python-numeric/24.2-4.el5.fys.gfortran.4.1.2.python2.4.blas.3.0.37.el5.lapack.3.0.37.el5

    module load acml-gfortran64/4.0.1-1.el5.fys
    module load cblas-acml-gfortran64/2.23.3-1.el5.fys.gfortran.4.1.2.acml.4.0.1
    module load python-numeric/24.2-4.el5.fys.gfortran.4.1.2.python2.4.acml.4.0.1.acml.4.0.1
    python -c "import lapack_lite"
    ldd `rpm -ql python-numeric-24.2-4.el5.fys.gfortran.4.1.2.python2.4.acml.4.0.1.acml.4.0.1 | grep lapack_lite.so`
    ldd `rpm -ql python-numeric-24.2-4.el5.fys.gfortran.4.1.2.python2.4.acml.4.0.1.acml.4.0.1 | grep _dotblas.so`
    module unload python-numeric/24.2-4.el5.fys.gfortran.4.1.2.python2.4.acml.4.0.1.acml.4.0.1
    module unload acml-gfortran64/4.0.1-1.el5.fys

  and reinstall the default version::

    rpm -ivh --oldpackage ~rpmbuild/${FYS_PLATFORM}/RPMS/external/python-numeric-23.*.rpm

  load the default `Numeric` version::

    module load acml-gfortran64/4.0.1-1.el5.fys
    module load cblas-acml-gfortran64/2.23.3-1.el5.fys.gfortran.4.1.2.acml.4.0.1
    module load python-numeric/24.2-4.el5.fys.gfortran.4.1.2.python2.4.acml.4.0.1.acml.4.0.1

- netcdf::

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin

    compiler=pathscale # only on fjorm
    compiler_version=3.2
    compiler_libdir=/opt/pathscale/lib/3.2
    compiler_bindir=/opt/pathscale/bin

    compiler=ifort  # only on thul
    compiler_version=11.0
    compiler_libdir=/opt/intel/Compiler/11.0/083/lib/intel64
    compiler_bindir=/opt/intel/Compiler/11.0/083/bin/intel64

    compiler=open64 # only on fjorm
    compiler_version=4.2.1
    compiler_libdir=/opt/open64/4.2.1/lib/gcc-lib/x86_64-open64-linux/4.2.1
    compiler_bindir=/opt/open64/4.2.1/bin

    rpmbuild --bb  --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} \
                   --with compiler_libdir=${compiler_libdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with prefix=/opt/netcdf4/4.0.1/1.${disttag}.${compiler}.${compiler_version} netcdf4.spec

- `ScientificPython <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#python-scientific>`_::

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin

    rpmbuild --bb  --with Numeric_includedir=none --with numpy=numpy \
                   --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with netcdf=${netcdf} --with netcdf_includedir=${netcdf_includedir} --with netcdf_libdir=${netcdf_libdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with prefix=/opt/ScientificPython/2.8/1.${disttag}.${compiler}.${compiler_version}.python2.4.serial_version.only.numpy ScientificPython.spec

    rpmbuild --bb  --with numpy=numeric \
                   --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with netcdf=${netcdf} --with netcdf_includedir=${netcdf_includedir} --with netcdf_libdir=${netcdf_libdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with parallel=1 --with openmpi=openmpi --with openmpi_version=${openmpi_version} \
                   --with ompi_libdir=${ompi_libdir} --with ompi_includedir=${ompi_includedir} --with ompi_bindir=${ompi_bindir} \
                   --with prefix=/opt/ScientificPython/2.6.2/1.${disttag}.${compiler}.${compiler_version}.python2.4.openmpi.${openmpi_version}.numeric ScientificPython.spec

- python-docutils::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/python-docutils/0.5/1.${disttag}.python2.4 python-docutils.spec

- pytz::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/pytz/2008g/1.${disttag}.python2.4 pytz.spec

- python-dateutil::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/python-dateutil/1.4.1/3.${disttag}.python2.4 python-dateutil.spec

- python-matplotlib::

    module load pytz
    module load python-docutils
    module load python-dateutil
    rpmbuild -bb --with modules --with default_version --with prefix=/opt/python-matplotlib/0.98.5.2/1.${disttag}.python2.4 python-matplotlib.spec

- `campos-ase2 <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#campos-ase2>`_::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/campos-ase2/2.3.13/1.${disttag}.python2.4 campos-ase2.spec

- `campos-dacapo-python <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#campos-dacapo-python>`_::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/campos-dacapo-python/0.9.4/1.${disttag}.python2.4 campos-dacapo-python.spec

- fftw2::

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin

    compiler=pathscale # only on fjorm
    compiler_version=3.2
    compiler_libdir=/opt/pathscale/lib/3.2
    compiler_bindir=/opt/pathscale/bin

    # Note: 24 June 2009: ifort fails to build static fftw2
    compiler=ifort  # only on thul
    compiler_version=11.0
    compiler_libdir=/opt/intel/Compiler/11.0/083/lib/intel64
    compiler_bindir=/opt/intel/Compiler/11.0/083/bin/intel64

    compiler=open64 # only on fjorm
    compiler_version=4.2.1
    compiler_libdir=/opt/open64/4.2.1/lib/gcc-lib/x86_64-open64-linux/4.2.1
    compiler_bindir=/opt/open64/4.2.1/bin

    rpmbuild --bb  --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} \
                   --with compiler_libdir=${compiler_libdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with prefix=/opt/fftw2/2.1.5/12.${disttag}.${compiler}.${compiler_version} fftw2.spec

- `campos-dacapo <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#id17>`_::
     
    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=acml
    blas_version=4.3.0
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${lapack_version}/${compiler}64/lib
    fftw=fftw2
    fftw_libdir=/opt/${fftw}/2.1.5/12.${disttag}.${compiler}.${compiler_version}/lib64
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}.${fftw}

    compiler=pathscale
    compiler_version=3.2
    compiler_libdir=/opt/pathscale/lib/3.2
    compiler_bindir=/opt/pathscale/bin
    blas=acml
    blas_version=4.0.1
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.0.1
    lapackdir=/opt/${lapack}/${lapack_version}/${compiler}64/lib
    fftw=fftw2
    fftw_libdir=/opt/${fftw}/2.1.5/12.${disttag}.${compiler}.${compiler_version}/lib64
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}.${fftw}

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=blas
    blas_version=3.0.37.el5
    blasdir=/usr/lib64
    lapack=lapack
    lapack_version=3.0.37.el5
    lapackdir=/usr/lib64
    fftw=fftw2
    fftw_libdir=/opt/${fftw}/2.1.5/12.${disttag}.${compiler}.${compiler_version}/lib64
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}.${fftw}

    rpmbuild --bb  --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                   --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                   --with fftw=${fftw} --with fftw_libdir=${fftw_libdir} \
                   --with lapack=${lapack} --with lapack_version=${lapack_version} --with lapackdir=${lapackdir} \
                   --with netcdf=${netcdf} --with netcdf_includedir=${netcdf_includedir} --with netcdf_libdir=${netcdf_libdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with parallel=1 --with openmpi=openmpi --with openmpi_version=${openmpi_version} \
                   --with ompi_libdir=${ompi_libdir} --with ompi_includedir=${ompi_includedir} --with ompi_bindir=${ompi_bindir} \
                   --with prefix=/opt/campos-dacapo/2.7.16/${release} campos-dacapo.spec

  Optional builds::

    compiler=ifort # only on thul # multinode jobs fail
    compiler_version=11.0
    compiler_libdir=/opt/intel/Compiler/11.0/083/lib/intel64
    compiler_bindir=/opt/intel/Compiler/11.0/083/bin/intel64
    blas=mkl
    blas_version=10.1.3.027
    blasdir=/opt/intel/${blas}/${blas_version}/lib/em64t
    lapack=mkl_lapack
    lapack_version=${blas_version}
    lapackdir=${blasdir}
    fftw=mkl
    fftw_libdir=${blasdir}
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}.${fftw}

    compiler=gfortran43 # only on thul
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=mkl
    blas_version=10.1.3.027
    blasdir=/opt/intel/${blas}/${blas_version}/lib/em64t
    lapack=mkl_lapack
    lapack_version=${blas_version}
    lapackdir=${blasdir}
    fftw=mkl
    fftw_libdir=${blasdir}
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}.${fftw}

    compiler=open64 # only on fjorm
    compiler_version=4.2.1
    compiler_libdir=/opt/open64/4.2.1/lib/gcc-lib/x86_64-open64-linux/4.2.1
    compiler_bindir=/opt/open64/4.2.1/bin
    blas=acml
    blas_version=4.3.0
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${lapack_version}/${compiler}64/lib
    fftw=fftw2
    fftw_libdir=/opt/${fftw}/2.1.5/12.${disttag}.${compiler}.${compiler_version}/lib64
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}.${fftw}

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=goto
    blas_version=1.26
    blasdir=/opt/${blas}/${blas_version}/1.${disttag}.${compiler}.${compiler_version}.smp/lib64
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${lapack_version}/${compiler}64/lib
    fftw=fftw2
    fftw_libdir=/opt/${fftw}/2.1.5/12.${disttag}.${compiler}.${compiler_version}/lib64
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}.${fftw}

Build following for gpaw:
-------------------------

- fftw3::

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin

    rpmbuild --bb  --with major_version=3 --with version1=2 --with version2=1 \
                   --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} \
                   --with compiler_libdir=${compiler_libdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with prefix=/opt/fftw3/3.2.1/12.${disttag}.${compiler}.${compiler_version} fftw2.spec
- scipy::

    module load numpy/1.3.0-1.el5.fys.gfortran.4.1.2.python2.4.blas.3.0.37.el5.lapack.3.0.37.el5

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=blas
    blas_version=3.0.37.el5
    blasdir=/usr/lib64
    lapack=lapack
    lapack_version=3.0.37.el5
    lapackdir=/usr/lib64
    fftw=fftw3
    fftw_libdir=/opt/${fftw}/3.2.1/12.${disttag}.${compiler}.${compiler_version}/lib64
    cblas_prefix=/opt/cblas/2.23.3/1.${disttag}.${compiler}.${compiler_version}.${blas}.${blas_version}
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=acml
    blas_version=4.0.1
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.0.1
    lapackdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    fftw=fftw3
    fftw_libdir=/opt/${fftw}/3.2.1/12.${disttag}.${compiler}.${compiler_version}/lib64
    cblas_prefix=/opt/cblas/2.23.3/1.${disttag}.${compiler}.${compiler_version}.${blas}.${blas_version}
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.${blas}.${blas_version}.${lapack}.${lapack_version}

    rpmbuild --bb --with cblas_prefix=${cblas_prefix} \
                  --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                  --with compiler=${compiler} --with compiler_version=${compiler_version} \
                  --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                  --with lapack=${lapack} --with lapack_version=${lapack_version} --with lapackdir=${lapackdir} \
                  --with ufsparse_libdir=/usr/lib64 --with ufsparse_includedir=/usr/include/suitesparse \
                  --with fftw=${fftw} --with fftw_libdir=${fftw_libdir} \
                  --with modules=${modules} --with default_version=1 \
                  --with prefix=/opt/scipy/0.7.0/${release} scipy.spec

- `campos-gpaw-setups <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#campos-gpaw-setups>`_::

    rpmbuild -bb --with default_version --with modules campos-gpaw-setups.spec

- povray::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/povray/3.6.1/3.${disttag} povray.spec

- python-jinja2::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/python-jinja2/2.1.1/1.${disttag}.python2.4 python-jinja2.spec

- python-pygments::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/python-pygments/1.0/1.${disttag}.python2.4 python-pygments.spec

- babel::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/babel/0.9.4/1.${disttag}.python2.4 babel.spec

- python-sphinx::

    module load python-jinja2
    rpmbuild -bb --with modules --with default_version --with prefix=/opt/python-sphinx/0.6.1/1.${disttag}.python2.4 python-sphinx.spec

- `campos-ase3 <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#campos-ase3>`_::

    rpmbuild -bb --with modules --with default_version --with prefix=/opt/campos-ase3/3.1.0.846/1.${disttag}.python2.4 campos-ase3.spec

  Snapshot package is built with, e.g.::

    version1=2
    version2=0
    version_svn=1066
    release=3.${version1}.${version2}.${version_svn}/1.${disttag}.python2.4
    rpmbuild -bb --with version1=${version1} --with version2=${version2} --with version_svn=${version_svn} --with keep_install=1 \
                 --with modules --with default_version \
                 --with prefix=/home/camp/rpmbuild/opt/Intel-Nehalem-el5/campos-ase3/${release} campos-ase3.spec
    rm /home/camp/rpmbuild/Intel-Nehalem-el5/RPMS/campos-ase3-3.2.0.1066-1.el5.fys.python2.4.x86_64.rpm
    dir=~/Intel-Nehalem-el5/BUILD/campos-ase3-3.${version1}.${version2}.${version_svn}-1.${disttag}.python2.4-root
    ln -s ${dir}/etc/modulefiles/campos-ase3/3.${version1}.${version2}.${version_svn}-1.${disttag}.python2.4 \
       ~/Intel-Nehalem-el5/modulefiles.testing/campos-ase3
    ln -s ${dir}/home/camp/rpmbuild/opt/Intel-Nehalem-el5/campos-ase3/3.${version1}.${version2}.${version_svn} ~/opt/Intel-Nehalem-el5/campos-ase3

- blacs::

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin

    compiler=pathscale
    compiler_version=3.2
    compiler_libdir=/opt/pathscale/lib/3.2
    compiler_bindir=/opt/pathscale/bin
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin

    compiler=open64
    compiler_version=4.2.1
    compiler_libdir=/opt/open64/4.2.1/lib/gcc-lib/x86_64-open64-linux/4.2.1
    compiler_bindir=/opt/open64/4.2.1/bin
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin

    rpmbuild --bb  --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with parallel=1 --with openmpi=openmpi --with openmpi_version=${openmpi_version} \
                   --with ompi_libdir=${ompi_libdir} --with ompi_includedir=${ompi_includedir} --with ompi_bindir=${ompi_bindir} \
                   --with prefix=/opt/blacs/1.1/24.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version} blacs.spec

- scalapack::

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=acml
    blas_version=4.3.0
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${blas_version}/${compiler}64/lib
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=open64
    compiler_version=4.2.1
    compiler_libdir=/opt/open64/4.2.1/lib/gcc-lib/x86_64-open64-linux/4.2.1
    compiler_bindir=/opt/open64/4.2.1/bin
    blas=acml
    blas_version=4.3.0
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${blas_version}/${compiler}64/lib
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=pathscale
    compiler_version=3.2
    compiler_libdir=/opt/pathscale/lib/3.2
    compiler_bindir=/opt/pathscale/bin
    blas=acml
    blas_version=4.3.0
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${blas_version}/${compiler}64/lib
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=blas
    blas_version=3.0.37.el5
    blasdir=/usr/lib64
    lapack=lapack
    lapack_version=3.0.37.el5
    lapackdir=/usr/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=blas
    blas_version=3.0.37.el5
    blasdir=/usr/lib64
    lapack=lapack
    lapack_version=3.0.37.el5
    lapackdir=/usr/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    rpmbuild --bb  --with blacs=blacs --with blacsdir=/opt/blacs/1.1/24.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}/lib64 \
                   --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                   --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                   --with lapack=${lapack} --with lapack_version=${lapack_version} --with lapackdir=${lapackdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with parallel=1 --with openmpi=openmpi --with openmpi_version=${openmpi_version} \
                   --with ompi_libdir=${ompi_libdir} --with ompi_includedir=${ompi_includedir} --with ompi_bindir=${ompi_bindir} \
                   --with prefix=/opt/scalapack/1.8.0/${release} scalapack.spec

- `campos-gpaw <https://wiki.fysik.dtu.dk/niflheim/Cluster_software_-_RPMS#campos-gpaw>`_::

    compiler=gfortran43 # only on fjorm
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=goto
    blas_version=1.26
    blasdir=/opt/${goto}/${blas_version}/1.${disttag}.${compiler}.${compiler_version}.smp/lib64
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${blas_version}/${compiler}64/lib
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=blacs
    blacsdir=/opt/blacs/1.1/24.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}/lib64
    scalapack=scalapack
    scalapackdir=/opt/scalapack/1.8.0/1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}/lib64
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.without_ase.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=pathscale # only on fjorm
    # note --with sl_second_underscore=1 is necessary for rpmbuild
    compiler_version=3.2
    compiler_libdir=/opt/pathscale/lib/3.2
    compiler_bindir=/opt/pathscale/bin
    blas=goto
    blas_version=1.26
    blasdir=/opt/${goto}/${blas_version}/1.${disttag}.${compiler}.${compiler_version}.smp/lib64
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${blas_version}/${compiler}64/lib
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=blacs
    blacsdir=/opt/blacs/1.1/24.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}/lib64
    scalapack=scalapack
    scalapackdir=/opt/scalapack/1.8.0/1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}/lib64
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.without_ase.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=blas
    blas_version=3.0.37.el5
    blasdir=/usr/lib64
    lapack=lapack
    lapack_version=3.0.37.el5
    lapackdir=/usr/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=blacs
    blacsdir=/opt/blacs/1.1/24.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}/lib64
    scalapack=scalapack
    scalapackdir=/opt/scalapack/1.8.0/1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}/lib64
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.without_ase.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=blas
    blas_version=3.0.37.el5
    blasdir=/usr/lib64
    lapack=lapack
    lapack_version=3.0.37.el5
    lapackdir=/usr/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=blacs
    blacsdir=/opt/blacs/1.1/24.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}/lib64
    scalapack=scalapack
    scalapackdir=/opt/scalapack/1.8.0/1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}/lib64
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.without_ase.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    rpmbuild --bb  --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                   --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                   --with lapack=${lapack} --with lapack_version=${lapack_version} --with lapackdir=${lapackdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with parallel=1 --with openmpi=openmpi --with openmpi_version=${openmpi_version} \
                   --with ompi_libdir=${ompi_libdir} --with ompi_includedir=${ompi_includedir} --with ompi_bindir=${ompi_bindir} \
                   --with blacs=${blacs} --with blacsdir=${blacsdir} \
                   --with scalapack=${scalapack} --with scalapackdir=${scalapackdir} \
                   --with prefix=/opt/campos-gpaw/0.5.3667/${release} campos-gpaw.spec

  Optional builds::

    compiler=gfortran43 # fails on thul
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=acml
    blas_version=4.3.0
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${blas_version}/${compiler}64/lib
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=blacs
    blacsdir=/opt/blacs/1.1/24.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}/lib64
    scalapack=scalapack
    scalapackdir=/opt/scalapack/1.8.0/1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}/lib64
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.without_ase.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=gfortran
    compiler_version=4.1.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=blas
    blas_version=4.0.1
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.0.1
    lapackdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=blacs
    blacsdir=/opt/blacs/1.1/24.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}/lib64
    scalapack=scalapack
    scalapackdir=/opt/scalapack/1.8.0/1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}/lib64
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.without_ase.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=ifort # fails on thul
    compiler_version=11.0
    compiler_libdir=/opt/intel/Compiler/11.0/083/lib/intel64
    compiler_bindir=/opt/intel/Compiler/11.0/083/bin/intel64
    blas=mkl
    blas_version=10.1.3.027
    blasdir=/opt/intel/${blas}/${blas_version}/lib/em64t
    lapack=mkl_lapack
    lapack_version=10.1.3.027
    lapackdir=${blasdir}
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=mkl
    blacsdir=${blasdir}
    scalapack=mkl
    scalapackdir=${blasdir}
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.without_ase.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=gfortran43 # only on thul # fails on thul
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=mkl
    blas_version=10.1.3.027
    blasdir=/opt/intel/${blas}/${blas_version}/lib/em64t
    lapack=mkl_lapack
    lapack_version=10.1.3.027
    lapackdir=${blasdir}
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=mkl
    blacsdir=${blasdir}
    scalapack=mkl
    scalapackdir=${blasdir}
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.without_ase.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

    compiler=gfortran43 # only on thul
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=mkl
    blas_version=10.2.1.017
    blasdir=/opt/intel/${blas}/${blas_version}/lib/em64t
    lapack=mkl_lapack
    lapack_version=10.2.1.017
    lapackdir=${blasdir}
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=mkl
    blacsdir=${blasdir}
    scalapack=mkl
    scalapackdir=${blasdir}
    release=1.${disttag}.${compiler}.${compiler_version}.python2.4.without_ase.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}

Build the following for abinit:
-------------------------------

- abinit pseudopotentials::

     rpmbuild -bb --with modules --with default_version abinit-pseudopotentials.spec

- abinit::

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=acml
    blas_version=4.3.0
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${lapack_version}/${compiler}64/lib
    fftw=fftw3
    fftw_libdir=/opt/${fftw}/3.2.1/12.${disttag}.${compiler}.${compiler_version}/lib64
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}.${fftw}

    rpmbuild --bb  --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                   --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                   --with fftw=${fftw} --with fftw_libdir=${fftw_libdir} \
                   --with lapack=${lapack} --with lapack_version=${lapack_version} --with lapackdir=${lapackdir} \
                   --with netcdf=${netcdf} --with netcdf_includedir=${netcdf_includedir} --with netcdf_libdir=${netcdf_libdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with parallel=1 --with openmpi=openmpi --with openmpi_version=${openmpi_version} \
                   --with ompi_libdir=${ompi_libdir} --with ompi_includedir=${ompi_includedir} --with ompi_bindir=${ompi_bindir} \
                   --with prefix=/opt/abinit/5.4.4p/${release} abinit.spec

Build the following for espresso:
---------------------------------

- espresso pseudopotentials::

     rpmbuild -bb --with modules --with default_version espresso_pp.spec

- espresso::

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=acml
    blas_version=4.3.0
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${lapack_version}/${compiler}64/lib
    fftw=fftw3
    fftw_libdir=/opt/${fftw}/3.2.1/12.${disttag}.${compiler}.${compiler_version}/lib64
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=blacs
    blacsdir=/opt/blacs/1.1/24.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}/lib64
    scalapack=scalapack
    scalapackdir=/opt/scalapack/1.8.0/1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}/lib64
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}.${fftw}

    rpmbuild --bb  --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                   --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                   --with fftw=${fftw} --with fftw_libdir=${fftw_libdir} \
                   --with lapack=${lapack} --with lapack_version=${lapack_version} --with lapackdir=${lapackdir} \
                   --with netcdf=${netcdf} --with netcdf_includedir=${netcdf_includedir} --with netcdf_libdir=${netcdf_libdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with parallel=1 --with openmpi=openmpi --with openmpi_version=${openmpi_version} \
                   --with ompi_libdir=${ompi_libdir} --with ompi_includedir=${ompi_includedir} --with ompi_bindir=${ompi_bindir} \
                   --with blacs=${blacs} --with blacsdir=${blacsdir} \
                   --with scalapack=${scalapack} --with scalapackdir=${scalapackdir} \
                   --with prefix=/opt/espresso/4.0.5/${release} espresso.spec

Build the following for yambo:
------------------------------

- yambo::

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=acml
    blas_version=4.3.0
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${lapack_version}/${compiler}64/lib
    fftw=fftw3
    fftw_libdir=/opt/${fftw}/3.2.1/12.${disttag}.${compiler}.${compiler_version}/lib64
    netcdf=netcdf4
    netcdf_includedir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/include
    netcdf_libdir=/opt/${netcdf}/4.0.1/1.${disttag}.${compiler}.${compiler_version}/lib64
    openmpi_version=1.3.3
    ompi_libdir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/lib64
    ompi_includedir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/include
    ompi_bindir=/opt/openmpi/${openmpi_version}-1.${disttag}.${compiler}.${compiler_version}/bin
    blacs=blacs
    blacsdir=/opt/blacs/1.1/24.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}/lib64
    scalapack=scalapack
    scalapackdir=/opt/scalapack/1.8.0/1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}/lib64
    release=1.${disttag}.${compiler}.${compiler_version}.openmpi.${openmpi_version}.${blas}.${blas_version}.${lapack}.${lapack_version}.${fftw}

    rpmbuild --bb  --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                   --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                   --with fftw=${fftw} --with fftw_libdir=${fftw_libdir} \
                   --with lapack=${lapack} --with lapack_version=${lapack_version} --with lapackdir=${lapackdir} \
                   --with netcdf=${netcdf} --with netcdf_includedir=${netcdf_includedir} --with netcdf_libdir=${netcdf_libdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with parallel=1 --with openmpi=openmpi --with openmpi_version=${openmpi_version} \
                   --with ompi_libdir=${ompi_libdir} --with ompi_includedir=${ompi_includedir} --with ompi_bindir=${ompi_bindir} \
                   --with blacs=${blacs} --with blacsdir=${blacsdir} \
                   --with scalapack=${scalapack} --with scalapackdir=${scalapackdir} \
                   --with iotkdir=/opt/espresso/4.0.5/${release}/share/espresso/iotk \
                   --with prefix=/opt/yambo/3.2.0.315/${release} yambo.spec

Build the folowing for elk:
---------------------------

- elk species::

     rpmbuild -bb --with modules --with default_version elk-species.spec

- elk::

    compiler=gfortran43
    compiler_version=4.3.2
    compiler_libdir=/usr/lib64
    compiler_bindir=/usr/bin
    blas=acml
    blas_version=4.3.0
    blasdir=/opt/${blas}/${blas_version}/${compiler}64/lib
    lapack=acml
    lapack_version=4.3.0
    lapackdir=/opt/${lapack}/${lapack_version}/${compiler}64/lib
    release=1.${disttag}.${compiler}.${compiler_version}.openmp.${blas}.${blas_version}.${lapack}.${lapack_version}

    rpmbuild --bb  --with blas=${blas} --with blas_version=${blas_version} --with blasdir=${blasdir} \
                   --with compiler=${compiler} --with compiler_version=${compiler_version} \
                   --with compiler_bindir=${compiler_bindir} --with compiler_libdir=${compiler_libdir} \
                   --with lapack=${lapack} --with lapack_version=${lapack_version} --with lapackdir=${lapackdir} \
                   --with modules=${modules} --with default_version=1 \
                   --with parallel=1 \
                   --with prefix=/opt/elk/0.9.262/${release} elk.spec

Build the following for vtk:
----------------------------

- cmake::

   rpmbuild -bb --with bootstrap --without gui cmake.spec  # install the resulting RPM
   rpmbuild -bb xmlrpc-c.spec # install the resulting RPM
   rpm -e cmake
   rpmbuild -bb --without gui cmake.spec # install the resulting RPM

- vtkdata::

   cd ~/rpmbuild/SPECS
   rpmbuild -bb --with version1=4 --with version2=2 --with modules=1 --with default_version=1 \
            --with prefix=/opt/vtkdata/5.4.2/1.${disttag} vtkdata.spec

- vtk::

   cd ~/rpmbuild/SPECS


Testing packages
================

Test `dacapo` installation (as **normal** user!).

If you use modules::

   module load campos-dacapo # fulfill all dependencies requested by module
   ulimit -s 500000 # dacapo needs a large stack

Test with (make sure that `/scratch/$USER` exists)::

 cp -r `rpm -ql campos-dacapo-python | grep "share/campos-dacapo-python$"` /tmp
 cd /tmp/campos-dacapo-python/Tests
 python test.py 2>&1 | tee test.log

It can take up to 1 day.
Please consider disabling these "long" tests in `test.py`::

 tests.remove('../Examples/Wannier-ethylene.py')
 tests.remove('../Examples/Wannier-Pt4.py')
 tests.remove('../Examples/Wannier-Ptwire.py')
 tests.remove('../Examples/Wannier-Fe-bcc.py')
 tests.remove('../Examples/transport_1dmodel.py')

**Note** all `vtk` related tests will fail.

Test `gpaw` installation (as **normal** user!):

If you use modules::

  module load campos-gpaw # fulfill all dependencies requested by module

Test with::

 cp -r `rpm -ql campos-gpaw | grep "share/campos-gpaw/test$"` /tmp/test.gpaw.$$
 cd /tmp/test.gpaw.*
 python test.py 2>&1 | tee test.log

It takes about 20 minutes.

On "Golden Client"
------------------

Login, as root, to the "Golden Client"::

 ssh n001

Enable nfs mount of the `server` home directory
- follow 'Enable nfs mount on the "Golden Client"' from `configuring NFS <Building_a_Cluster_-_Tutorial/configuring_NFS>`_.
After this do::

 cd /home/dulak-server/rpm/campos

 rpm -ivh campos-dacapo-2*

If getting::

  package example_package.el5.i386 is already installed

remove these packages with::

  rpm -e --nodeps example_package

to allow the installation to proceed.

Make sure that both python-numeric versions are installed::

  rpm -q python-numeric

This command will show a list of packages that need to be installed to fulfill `dacapo` dependencies.
All these packages should be already under ``/home/dulak-server/rpm``.
Remember to test the `dacapo` and `gpaw` installations on the "Golden Client" too.

If you are installing workstation only, your setup is ready for testing - go to `benchmarking and maintenance <Building_a_Cluster_-_Tutorial/benchmarking_and_maintenance>`_.

If you are building a cluster go **back** to `installing and configuring systemimager <Building_a_Cluster_-_Tutorial/installing_and_configuring_systemimager>`_,