Added WEST 1.0.1

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@11599 c92efa57-630b-4861-b058-cf58834340f0
This commit is contained in:
spigafi 2015-06-20 14:54:27 +00:00
parent 30e66063e5
commit 3bafe8315b
4 changed files with 44 additions and 2 deletions

View File

@ -120,6 +120,7 @@ or patch some \qe\ routines can be installed as {\em plug-ins}:
\item \texttt{GIPAW} (Gauge-Independent Projector Augmented Waves):
NMR chemical shifts and EPR g-tensor.
\item \texttt{GWL}: electronic excitations within GW Approximation.
\item \texttt{WEST}: Many-body perturbation corrections for standard DFT.
\end{itemize}
Documentation on single packages can be found in the \texttt{Doc/} or
\texttt{doc/} directory of each package. A detailed description of input
@ -754,6 +755,9 @@ At your choice, you may compile the complete \qe\ suite of programs
unpacks it, runs its \configure,
produces all \texttt{GIPAW} executables in
\texttt{GIPAW/bin} and in main \texttt{bin} directory.
\item \texttt{make west} downloads \texttt{WEST} from \texttt{www.west-code.org},
unpacks it, produces all the executables
in \texttt{West/Wfreq} and \texttt{West/Wstat}.
\end{itemize}
For the setup of the GUI, refer to the \texttt{PWgui-X.Y.Z /INSTALL} file, where
X.Y.Z stands for the version number of the GUI (should be the same as the

View File

@ -22,6 +22,7 @@ default :
@echo ' gipaw NMR and EPR spectra'
@echo ' w90 Maximally localised Wannier Functions'
@echo ' want Quantum Transport with Wannier functions'
@echo ' west Many-body perturbation corrections for standard DFT'
@echo ' yambo electronic excitations with plane waves'
@echo ' yambo-devel yambo devel version'
@echo ' plumed Metadynamics plugin for pw or cp'
@ -158,6 +159,9 @@ yambo-devel: touch-dummy
plumed: touch-dummy
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
west: pw touch-dummy
( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )
#epw: touch-dummy
# ( cd install ; $(MAKE) -f plugins_makefile $@ || exit 1 )

View File

@ -49,3 +49,5 @@ GPU=v14.06.0
#GPU_URL=$(URL)$(GPU).tar.gz
GPU_URL=https://github.com/fspiga/QE-GPU/archive/$(GPU).tar.gz
#
WEST=West-1.0.1
WEST_URL=http://www.west-code.org/downloads/$(WEST).tar.gz

View File

@ -426,6 +426,28 @@ configure-sax: touch-dummy
touch ./configure-sax
###################################
# WEST
###################################
west: extlibs uncompress-west
if test -d ../West; then \
cd ../West; $(MAKE) -j1 all || exit 1; fi
touch ./make-west
uncompress-west: touch-dummy
@(if test ! -s ../archive/$(WEST).tgz && test ! -d ../West ; then \
wget -O ../archive/$(WEST).tar.gz $(WEST_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
curl -o ../archive/$(WEST).tar.gz $(WEST_URL) > /dev/null 2>&1; \
if test "`echo $$?`" -ne "0" ; then \
echo "*** Unable to download WEST. Test whether curl or wget is installed and working," ; \
echo "*** if you have direct access to internet. If not, copy into archive/ the file" ; \
echo "*** $(WEST).tar.gz from http://www.west-code.org ." ; \
exit 1 ; fi ; fi ; fi)
if test ! -d ../West; then \
(gzip -dc ../archive/$(WEST).tar.gz | (cd ../ ; tar -xvf -)) ; fi
touch uncompress-west
##################################
# extlibs
###################################
@ -619,6 +641,16 @@ sax_veryclean: sax_clean
if test -d ../$(SAX); then (rm -R -f ../$(SAX)); fi
- rm -rf ./uncompress-sax
west_clean:
if test -d ../West; then (cd ../West; \
$(MAKE) clean); fi
- rm -rf ./make-west ./configure-west
west_veryclean: west_clean
if test -d ../West; then (rm -R -f ../West); fi
if test -d ../$(WEST); then (rm -R -f ../$(WEST)); fi
- rm -rf ./uncompress-west
gui_clean:
rm -rf ./make-gui
@ -636,7 +668,7 @@ gpu_veryclean: gpu_clean
##########################################################
clean: w90_clean want_clean yambo_clean yambo-devel_clean plumed_clean epw_clean \
gui_clean phonon_clean tddfpt_clean xspectra_clean neb_clean pwcond_clean \
ld1_clean gipaw_clean gpu_clean
ld1_clean gipaw_clean gpu_clean west_clean
veryclean: w90_veryclean want_veryclean yambo_veryclean yambo-devel_veryclean plumed_veryclean epw_veryclean \
gui_veryclean phonon_veryclean tddfpt_veryclean xspectra_veryclean neb_veryclean \
pwcond_veryclean ld1_veryclean gipaw_veryclean gpu_veryclean
pwcond_veryclean ld1_veryclean gipaw_veryclean gpu_veryclean west_veryclean