On the server

• configure external repositories

• if not yet done, configure rpmbuild,

• Skip this step if not installing on "dulak-server": create the /home/dulak-server/rpm/external directory (to keep external RPMS):

  mkdir /home/dulak-server/rpm/external; cd /home/dulak-server/rpm/external

• install-external-packages

• comment out temporarily the exclude line in edit /etc/yum.conf,

• and install additional atrpms packages:

  yumdownloader --resolve --enablerepo=atrpms fftw2 fftw2-devel fftw2-static netcdf netcdf-devel netcdf-static
  yum localinstall *

• and from epel:

  yumdownloader --resolve --enablerepo=epel fftw3 fftw3-devel fftw fftw-devel fftw-static
  yumdownloader --resolve --enablerepo=epel python-matplotlib python-docutils
  yumdownloader --resolve --enablerepo=epel atlas-devel python-pygments scipy
  yum localinstall *
  . /etc/profile.d/modules.sh

• uncomment the exclude line in edit /etc/yum.conf,

• Skip this step if not installing on "dulak-server":

  cp -p ~/${FYS_PLATFORM}/RPMS/external/* /home/dulak-server/rpm/external

cd ~/rpmbuild/SPECS

mkdir /home/dulak-server/rpm/campos

Build ase

On systems other than EL5 start directly with building campos-ase3.

On EL5, you need to build more packages:

• auctex (install auctex-emacs and preview-tetex; on Fedora Core: emacs-auctex and tex-preview)

• remove python-setuptools <= 0.6c5:

  rpm -e --nodeps python-setuptools

• python-setuptools

• babel (install python-babel and babel)

• python-jinja2

• python-sphinx

• campos-ase3

Build gpaw

• campos-gpaw-setups
• campos-gpaw

Build dacapo

• if old ASE2 is required and the system has python version <= 2.4:

  • rasmol - only when installing campos-ase2
  • gnuplot-py - only when installing campos-ase2
  • cblas - only when installing campos-ase2
  • python-numeric - only when installing campos-ase2
  • ScientificPython 2.6.2
  • campos-ase2
  • campos-dacapo-python - only when installing campos-ase2

• otherwise (recommended):

  • build ase
  • ScientificPython 2.8 or later

• campos-dacapo-pseudopotentials

• campos-dacapo

module load openmpi
module load campos-dacapo-pseudopotentials
module load python-numeric
module load campos-dacapo-python
module load ScientificPython
module load gnuplot-py
module load RasMol
module load campos-ase2
module load campos-dacapo
ulimit -s 65000 # dacapo needs a large stack

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

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')

module load openmpi
module load campos-ase3
module load campos-gpaw-setups
module load campos-gpaw

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

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. 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.

If you are building a cluster go back to installing and configuring systemimager,