alexp 5/16/17

gfortran in the debathena-trusty release was used.

Unpack qe-6.1.tar.gz in install location /mit/espresso_v6.1/$ATHENA_SYS.
Unpack qe-6.1-examples.tar.gz and qe-6.1-test-suite.tar.gz at
/mit/espresso_v6.1/$ATHENA_SYS/qe-6.1

At top level, run

./configure --enable-parallel 
            --enable-openmp 
            --enable-environment             
make all

The quick tests are apparently no longer supplied, contradicting information
in the manual. However the examples can be run, i.e:

cd /mit/espresso_v6.1/amd64_ubuntu1404/qe-6.1/Examples/PW/example01
./run_example

Edit $ATHENA_SYS/qe-6.1/environment_variables, setting
BIN_DIR, PSEUDO_DIR, TMP_DIR appropriately for installation location;
also put code for this in .attachrc and .attachrc.bash; put
/mit/espresso_v6.1/$ATHENA_SYS/qe-6.1/bin and
/mit/espresso_v6.1/$ATHENA_SYS/qe-6.1/PWgui-6.1 on path, attach 
xcrysden and put xcrysden on path.

To run pwgui the iwidgets4 Ubuntu package must be installed.

To run pw.x in parallel:

mpirun -np 4 pw.x <options> file.in  > file.out 

Note: the xcrysden setup relies on files conf.sh and conf.csh in the current
xcrysden locker. These are the same as the .attachrc.bash and .attachrc files
in that locker, with the cookie-related actions and echo messages sent at
the end removed.