[ase-users] Installation of ASE-DACAPO On Ubuntu 12.10

[Sungsik Kim]

Hello,

This is Sungsik Kim.

I am installing dacapo on Ubuntu 12.10.

I am a newer to Ubuntu.

I got an error in "make gfortran_fsecond_underscore"

Here is my error below.

########################################################################################################
gen_hamiltonian_matrix.o: In function `gen_hamiltonian_matrix__':
gen_hamiltonian_matrix.F:(.text+0x40d): undefined reference to `nf_open__'
gen_hamiltonian_matrix.F:(.text+0x67a): undefined reference to `nf_close__'
collect2: error: ld returned 1 exit status
make[2]: *** [dacapo.run] Error 1
make[2]: Leaving directory
`/home/sungsik/dacapo/src/gfortran_fsecond_underscore_serial'
make[1]: *** [serial] Error 2
make[1]: Leaving directory `/home/sungsik/dacapo/src'
make: *** [gfortran_fsecond_underscore] Error 2
#######################################################################################################

Here is my procedure to install dacapo.

sudo apt-get install liblapack-dev
sudo apt-get install libnetcdf-dev
sudo apt-get install netcdf-bin
sudo apt-get install fftw-dev
sudo apt-get install subversion
sudo apt-get install gfortran
sudo apt-get install python-scientific
sudo apt-get install grace
sudo apt-get install rasmol
sudo apt-get install gnuplot
sudo apt-get install python-pexpect
sudo apt-get install python-vtk
sudo apt-get install python-matplotlib
sudo apt-get install python-gnuplot

svn checkout https://svn.fysik.dtu.dk/projects/ase/trunk ase
sudo apt-get install python-ase
svn co https://svn.fysik.dtu.dk/projects/dacapo/trunk dacapo

cd
mkdir psp
cp -pr dacapo/psp/*/*/*.pseudo psp

export NETCDF="/usr/lib"
export DACAPOPATH="/home/psp"
export BLASLAPACK="-L/usr/lib -lnetcdff -lnetcdf -L/usr/lib -lblas -llapack
-L/usr/lib -lblas -llapack -lgfortran"
export FFTW="/usr/lib"

cd ~/dacapo/src
make gfortran_fsecond_underscore


export VTK_TK_WIDGET_PATH=/usr/lib
export PYTHONPATH=${HOME}/dacapo/Python:${HOME}/ase
export
PATH=${HOME}/bin:${HOME}/ase/ase/tools:${HOME}/dacapo/Python/Dacapo/Tools:${PATH}
export
DACAPOEXE_SERIAL=${HOME}/dacapo/src/gfortran_fsecond_underscore_serial/dacapo.run

I cannot figure out what is wrong with my procedure.

Thank you for taking your time.

Sincerely

Sungsik
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://listserv.fysik.dtu.dk/pipermail/ase-users/attachments/20130204/5ada1cb6/attachment.html>