diff --git a/INSTALL b/INSTALL index 3c2b43f7cc..885b61f59a 100644 --- a/INSTALL +++ b/INSTALL @@ -1,5 +1,5 @@ ==================================================== -$Id: INSTALL,v 1.72 2005-07-21 01:06:02 edo Exp $ +$Id: INSTALL,v 1.73 2005-07-21 01:10:41 edo Exp $ ---------------------------------------------------- GUIDE TO INSTALLING NWChem @@ -219,7 +219,7 @@ BASIC BUILD INSTRUCTIONS: % make nwchem_config Combinations of these tags are allowed. For example, - % setenv NWCHEM_MODULES "all gapss python" + % setenv NWCHEM_MODULES "all python" will build the union of these three module identifiers. 6) If your NWCHEM_TARGET is CRAY-T3E or cray-sv2, perform the diff --git a/src/config/make_nwchem_config b/src/config/make_nwchem_config index 3d78bbd17a..e3b1beb3f7 100644 --- a/src/config/make_nwchem_config +++ b/src/config/make_nwchem_config @@ -9,7 +9,7 @@ # NWCHEM_TOP " # NWCHEM_TARGET " # -# $Id: make_nwchem_config,v 1.204 2005-07-20 20:44:43 marat Exp $ +# $Id: make_nwchem_config,v 1.205 2005-07-21 01:10:44 edo Exp $ #----------------------------------------------------------------------------- # These are the directories required to build the various high-level # computational modules for NWChem. They are built after the core @@ -18,7 +18,7 @@ KNOWN_MODULE_SUBDIRS = NWints atomscf ddscf develop gradients moints nwdft \ rimp2 stepper driver dftgrad scfaux cphf ccsd vib mcscf prepar \ esp hessian plane_wave selci dplot mp2_grad oimp2 qhop\ - property gapss nwpw fft rimp2_grad python analyz nwmd cafe space \ + property nwpw fft rimp2_grad python analyz nwmd cafe space \ drdy vscf uccsdt qmmm qmd etrans tddft tce geninterface bq cons \ perfm neb @@ -28,7 +28,7 @@ KNOWN_MODULE_SUBDIRS = NWints atomscf ddscf develop gradients moints nwdft \ KNOWN_MODULE_LIBS = -ltest -lccsd -lmcscf -lselci -lmp2 -lmoints \ -lstepper -ldriver -ldftgrad -lplnwv -lnwdft -lgradients \ - -lcphf -lscfaux -lgapss -lesp -lddscf -lguess -lhessian \ + -lcphf -lscfaux -lesp -lddscf -lguess -lhessian \ -lvib -lnwcutil -lrimp2g -lrimp2 -lproperty -lnwints \ -lprepar -lnwmd -lnwpw -lpaw -lpspw -lband -lnwpwlib -lcafe -lspace -lanalyze -lqhop\ -lpfft -ldplot -loimp2 -lpython -ldrdy -lvscf -lqmmm -lqmd -letrans\ @@ -65,7 +65,7 @@ MODULES := $(NWCHEM_MODULES) EXPANSIONS = all qm md argos alldev pnnl pnnldev -EXP_all = $(filter-out uccsdt python develop gapss oimp2 scfaux plane_wave rimp2_grad vscf geninterface,$(KNOWN_MODULE_SUBDIRS) ) +EXP_all = $(filter-out uccsdt python develop oimp2 scfaux plane_wave rimp2_grad vscf geninterface,$(KNOWN_MODULE_SUBDIRS) ) EXP_pnnl = $(EXP_all) python EXP_alldev = develop $(EXP_all) EXP_pnnldev = develop $(EXP_pnnl) @@ -81,7 +81,7 @@ EXP_argos = prepar analyz EXP_md = prepar nwmd analyz EXP_venus = NWints atomscf ddscf gradients moints nwdft rimp2 hessian \ ccsd vib property dftgrad mp2_grad geninterface -EXP_qmmm = $(filter-out hessian tce uccsdt python develop gapss oimp2 scfaux plane_wave rimp2_grad vscf geninterface,$(KNOWN_MODULE_SUBDIRS) ) +EXP_qmmm = $(filter-out hessian tce uccsdt python develop oimp2 scfaux plane_wave rimp2_grad vscf geninterface,$(KNOWN_MODULE_SUBDIRS) ) # Check each expansion @@ -116,7 +116,6 @@ endif # will be hard to generate automatically. MODULES := $(patsubst geninterface,geninterface,$(MODULES) ) -MODULES := $(patsubst gapss,gapss atomscf nwdft ddscf NWints,$(MODULES) ) MODULES := $(patsubst property,property ddscf,$(MODULES) ) @@ -194,7 +193,6 @@ MOD_LIBS := $(patsubst ccsd,-lccsd,$(MOD_LIBS) ) MOD_LIBS := $(patsubst mcscf,-lmcscf,$(MOD_LIBS) ) MOD_LIBS := $(patsubst moints,-lmoints,$(MOD_LIBS) ) MOD_LIBS := $(patsubst nwdft,-lnwdft,$(MOD_LIBS) ) -MOD_LIBS := $(patsubst gapss,-lgapss,$(MOD_LIBS) ) MOD_LIBS := $(patsubst rimp2,-lrimp2,$(MOD_LIBS) ) MOD_LIBS := $(patsubst rimp2_grad,-lrimp2g,$(MOD_LIBS) ) MOD_LIBS := $(patsubst oimp2,-loimp2,$(MOD_LIBS) ) @@ -247,7 +245,6 @@ STUBROUTINES := $(patsubst ccsd,ccsd ccsd_input,$(STUBROUTINES) ) STUBROUTINES := $(patsubst mcscf,mcscf mcscf_input,$(STUBROUTINES) ) STUBROUTINES := $(patsubst moints,atwtest direct_mp2 moints_full,$(STUBROUTINES) ) STUBROUTINES := $(patsubst nwdft,nwdft xc_chktau dft_fitcd grid_cleanup dft_fitvc grid_quadv0_gen dft_input xc_quadv0_gen dft_energy sodft_energy,$(STUBROUTINES) ) -STUBROUTINES := $(patsubst gapss,gapss gap_parse,$(STUBROUTINES) ) STUBROUTINES := $(patsubst rimp2,rimp2,$(STUBROUTINES) ) STUBROUTINES := $(patsubst rimp2_grad,rimp2g,$(STUBROUTINES) ) STUBROUTINES := $(patsubst oimp2,oimp2,$(STUBROUTINES) )