<commit_before># $Id: makefile.h,v 1.149 1996-04-22 21:34:53 gg502 Exp $

# Common definitions for all makefiles ... these can be overridden
# either in each makefile by putting additional definitions below the
# include statement, or on the command line


#
# TOPDIR points to your top-level directory that contains 
# src, lib, config, ... (SRCDIR, etc., are derived from TOPDIR)
# Do a setenv for NWCHEM_TOP to be the top level directory
#

ifndef NWCHEM_TOP
error1:
	@echo You must define NWCHEM_TOP in your environment to be the path
	@echo of the top level nwchem directory ... something like
	@echo     setenv NWCHEM_TOP /msrc/home/hillary_clinton/nwchem
	@exit 1
endif

#
# Do a setenv for NWCHEM_TARGET to be the machine you wish to build for
# (one of SUN, DELTA, IBM, KSR, PARAGON, CRAY-T3D, DECOSF)
#

ifndef NWCHEM_TARGET
error2:
	@echo You must define NWCHEM_TARGET in your environment to be the name
	@echo of the machine you wish to build for ... for example
	@echo     setenv NWCHEM_TARGET SUN
	@echo Known targets are SUN, DELTA, KSR, PARAGON, IBM, CRAY-T3D, DECOSF
	@exit 1
endif

     TARGET = $(NWCHEM_TARGET)
     TOPDIR = $(NWCHEM_TOP)

     SRCDIR = $(TOPDIR)/src
     LIBDIR = $(TOPDIR)/lib/$(TARGET)
     BINDIR = $(TOPDIR)/bin/$(TARGET)
     INCDIR = $(TOPDIR)/src/include
     CNFDIR = $(TOPDIR)/src/config

#
# Define LIBPATH to be paths for libraries that you are linking in
# from precompiled sources and are not building now. These libraries
# will be searched AFTER anything you are building now.
# e.g. LIBPATH = -L/msrc/proj/mss/lib
#
    LIBPATH = 

#
# Define INCPATH to be directories to get includes for
# libraries that you are not building now.  These directories
# will be searched AFTER anything you are building now.
#
    INCPATH = 


# These subdirectories will build the core, or supporting libraries
# that are required by all NWChem modules.  The include directory is
# first to insure that all include files will be properly installed
# prior to trying to compile anything.
#
# The core libraries are usually rather platform-dependent and are
# specified below.  Use of MPI requires substituting the tcgmsg-mpi
# wrapper for the normal tcgmsg library.

ifdef USE_MPI
NW_CORE_SUBDIRS = include basis geom global inp input \
	ma pstat rtdb tcgmsg-mpi symmetry util $(CORE_SUBDIRS_EXTRA)
else
NW_CORE_SUBDIRS = include basis geom global inp input \
	ma pstat rtdb tcgmsg symmetry util $(CORE_SUBDIRS_EXTRA)
endif

# These are the directories required to build the various high-level
# computational modules for NWChem.  They are built after the core
# directories.

KNOWN_MODULE_SUBDIRS = NWints atomscf ddscf develop gradients moints nwdft \
	rimp2 stepper ideaz dftgrad scfaux cphf ccsd vib mcscf nwargos \
	plane_wave selci dplot mp2_grad


# These are the libraries for the high-level modules.  They should be
# specified in an order that will link correctly, but that shouldn't
# be too hard to come up with.  These should be platform-independent.

KNOWN_MODULE_LIBS = -ltest -lccsd -lmcscf -lselci -lmp2 -lmoints -lrimp2 \
                    -lstepper -ldftgrad -lplnwv -lnwdft -lgradients \
                    -lcphf -lscfaux -lddscf -lguess \
                    -lvib -lutil -lnwints -lideaz -lnwargos -ldplot

# This include file handles configuration of the NW_MODULE_SUBDIRS and
# NW_MODULE_LIBS macros for what we actually want to build.  It
# works from KNOWN_MODULE_SUBDIRS and KNOWN_MODULES_LIBS (keeping the order
# but removing unneeded elements) and produces the following
# additional macros:
#
# NW_MODULE_SUBDIRS:	List of directories that must be built
# NW_MODULE_LIBS:	List of libraries to be linked against<commit_msg>Added MD preparation codes as a separate module. This module is NOT linked into the nwchem main code.<commit_after># $Id: makefile.h,v 1.150 1996-04-24 19:02:55 d3j191 Exp $

# Common definitions for all makefiles ... these can be overridden
# either in each makefile by putting additional definitions below the
# include statement, or on the command line


#
# TOPDIR points to your top-level directory that contains 
# src, lib, config, ... (SRCDIR, etc., are derived from TOPDIR)
# Do a setenv for NWCHEM_TOP to be the top level directory
#

ifndef NWCHEM_TOP
error1:
	@echo You must define NWCHEM_TOP in your environment to be the path
	@echo of the top level nwchem directory ... something like
	@echo     setenv NWCHEM_TOP /msrc/home/hillary_clinton/nwchem
	@exit 1
endif

#
# Do a setenv for NWCHEM_TARGET to be the machine you wish to build for
# (one of SUN, DELTA, IBM, KSR, PARAGON, CRAY-T3D, DECOSF)
#

ifndef NWCHEM_TARGET
error2:
	@echo You must define NWCHEM_TARGET in your environment to be the name
	@echo of the machine you wish to build for ... for example
	@echo     setenv NWCHEM_TARGET SUN
	@echo Known targets are SUN, DELTA, KSR, PARAGON, IBM, CRAY-T3D, DECOSF
	@exit 1
endif

     TARGET = $(NWCHEM_TARGET)
     TOPDIR = $(NWCHEM_TOP)

     SRCDIR = $(TOPDIR)/src
     LIBDIR = $(TOPDIR)/lib/$(TARGET)
     BINDIR = $(TOPDIR)/bin/$(TARGET)
     INCDIR = $(TOPDIR)/src/include
     CNFDIR = $(TOPDIR)/src/config

#
# Define LIBPATH to be paths for libraries that you are linking in
# from precompiled sources and are not building now. These libraries
# will be searched AFTER anything you are building now.
# e.g. LIBPATH = -L/msrc/proj/mss/lib
#
    LIBPATH = 

#
# Define INCPATH to be directories to get includes for
# libraries that you are not building now.  These directories
# will be searched AFTER anything you are building now.
#
    INCPATH = 


# These subdirectories will build the core, or supporting libraries
# that are required by all NWChem modules.  The include directory is
# first to insure that all include files will be properly installed
# prior to trying to compile anything.
#
# The core libraries are usually rather platform-dependent and are
# specified below.  Use of MPI requires substituting the tcgmsg-mpi
# wrapper for the normal tcgmsg library.

ifdef USE_MPI
NW_CORE_SUBDIRS = include basis geom global inp input \
	ma pstat rtdb tcgmsg-mpi symmetry util $(CORE_SUBDIRS_EXTRA)
else
NW_CORE_SUBDIRS = include basis geom global inp input \
	ma pstat rtdb tcgmsg symmetry util $(CORE_SUBDIRS_EXTRA)
endif

# These are the directories required to build the various high-level
# computational modules for NWChem.  They are built after the core
# directories.

KNOWN_MODULE_SUBDIRS = NWints atomscf ddscf develop gradients moints nwdft \
	rimp2 stepper ideaz dftgrad scfaux cphf ccsd vib mcscf nwargos \
	plane_wave selci dplot mp2_grad nwaprep


# These are the libraries for the high-level modules.  They should be
# specified in an order that will link correctly, but that shouldn't
# be too hard to come up with.  These should be platform-independent.

KNOWN_MODULE_LIBS = -ltest -lccsd -lmcscf -lselci -lmp2 -lmoints -lrimp2 \
                    -lstepper -ldftgrad -lplnwv -lnwdft -lgradients \
                    -lcphf -lscfaux -lddscf -lguess \
                    -lvib -lutil -lnwints -lideaz -lnwargos -ldplot -lnwaprep

# This include file handles configuration of the NW_MODULE_SUBDIRS and
# NW_MODULE_LIBS macros for what we actually want to build.  It
# works from KNOWN_MODULE_SUBDIRS and KNOWN_MODULES_LIBS (keeping the order
# but removing unneeded elements) and produces the following
# additional macros:
#
# NW_MODULE_SUBDIRS:	List of directories that must be built
# NW_MODULE_LIBS:	List of libraries to be linked against
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