There is the possibility that I’ll be using CP2k in the near future, so I’ve been getting better acquainted. By all accounts this is a distribution that makes you work for its love, which is fine b/c I’m not needy. It also represents a new domain for me, mixed Gaussian/plane waves and molecular dynamics, I look forward to what it can do. In the meantime, Lady and Gentleman, I give you 5 READMEs and 7 hours later the complete steps for a full install on a fresh Linux i686 OS
0.0 Get Coffee
1.0 Install g95:
# wget -O – http://ftp.g95.org/g95-x86-linux.tgz | tar xvfz -
//check g95-install/bin for binary name, make symbolic link, eg.,
# ln -s /root/g95-install/bin/i686-unknown-linux-gnu-g95 /bin/g95
2.0 Install Lapack:
# wget -O – http://www.netlib.org/lapack/lapack.tgz | tar xvfz -
# cd lap*
//cp & edit the make.inc file to use g95 (edit FORTRAN & LOADER lines)
# cp make.inc.example make.inc
# vim make.inc
//make
# make lib
2.1 Lunch
3.0 Install & run ATLAS:
//get file from sourceforge & gunzip etc, cd into ATLAS,
//make a dir
# mkdir MyObj
# cd MyObj
//run configure specifying compiler and path to LAPACK eg.,
# /root/ATLAS/configure -C if /bin/g95 –with-netlib-lapack=/root/lapack-3.2/lapack_LINUX.a
//run all variants of make (will take quite a while 
)
# make
# make check
# make ptcheck
# make time
# make install
3.1 Coffee
4. Install FFTW3:
# wget -O – ftp://ftp.fftw.org/pub/fftw/fftw-3.2.1.tar.gz | tar xvfz -
# cd fft*
# ./configure
# make
# make install
5. Install cp2k
//download eg., via cvs:
# cvs -d :pserver:anonymous@cvs.cp2k.berlios.de:/cvsroot/cp2k co cp2k
// cd into cp2k/arch, create/edit arch file, eg., for Linux 686 w/ g95, serial;
# cp Linux-i686-g95.sopt foo.sopt
// edit with vim, making sure order of libraries is lapack/blas/cblas/atlas:
LIBS = /usr/local/atlas/lib/liblapack.a /usr/local/atlas/lib/libf77blas.a /
usr/local/atlas/lib/libcblas.a /usr/local/atlas/lib/libatlas.a
// cd into cp2k/makefiles,
# make ARCH=foo VERSION=sopt
# make install
// if build succesful, should have executable in ~/cp2k/exe/foo, make link eg.,
# ln -s /root/cp2k/exe/foo/cp2k.sopt /bin/cp2k
5.1 Dinner
5.2 Coffee
6. Watch tv for a bit
7. Edit & run ~cp2k/tools/do_regtest in future
