Add blas, lapack, and arpack libs.

.gitignore

@@ -1,3 +1,9 @@
 .*.swp
 bin/
 *.o
+config.h
+sqm/*.mod
+lib/*.a
+leap/src/leap/helptext.c
+leap/src/leap/parser.c
+leap/src/leap/utilMakeHelp

Makefile

@@ -28,6 +28,9 @@ sqm::
 
 libs::
 	cd cifparse && $(MAKE) install
+	cd blas && $(MAKE) install
+	cd lapack && $(MAKE) install
+	cd arpack && $(MAKE) install
 
 clean:
 	-cd antechamber && $(MAKE) clean

arpack/LICENSE

@@ -0,0 +1,37 @@
+BSD Software License
+
+Pertains to ARPACK and P_ARPACK
+
+Copyright (c) 1996-2008 Rice University.  
+Developed by D.C. Sorensen, R.B. Lehoucq, C. Yang, and K. Maschhoff.
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or without
+modification, are permitted provided that the following conditions are
+met:
+
+- Redistributions of source code must retain the above copyright
+  notice, this list of conditions and the following disclaimer. 
+
+- Redistributions in binary form must reproduce the above copyright
+  notice, this list of conditions and the following disclaimer listed
+  in this license in the documentation and/or other materials
+  provided with the distribution.
+
+- Neither the name of the copyright holders nor the names of its
+  contributors may be used to endorse or promote products derived from
+  this software without specific prior written permission.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
+"AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT  
+LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
+A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT 
+OWNER OR CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL,
+SPECIAL, EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT
+LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE,
+DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY
+THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT  
+(INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. 
+
+

arpack/Makefile

@@ -0,0 +1,37 @@
+SHELL=/bin/sh
+SRCDIR=..
+VPATH=
+include ../config.h
+
+.f.o:
+	$(FC) -c $(FOPTFLAGS) $(FFLAGS) -o $@ $<
+
+.c.o:
+	$(CC) -c $(COPTFLAGS) $(CFLAGS) -o $@ $<
+
+install: $(LIBDIR)/libarpack.a
+
+ARPACKLIB= ivout.o dvout.o dgetv0.o dlaqrb.o dnaitr.o dnapps.o \
+dnaup2.o dnaupd.o dnconv.o dneigh.o dmout.o \
+dneupd.o dngets.o dsaitr.o dsapps.o dsaup2.o \
+dsaupd.o dsconv.o dseigt.o dsesrt.o dseupd.o \
+dsgets.o dsortc.o dsortr.o dstatn.o dstats.o dstqrb.o dsarpack.o \
+wallclock.o
+
+SARPACKLIB= svout.o sgetv0.o slaqrb.o snaitr.o snapps.o \
+snaup2.o snaupd.o snconv.o sneigh.o smout.o \
+sneupd.o sngets.o ssaitr.o ssapps.o ssaup2.o \
+ssaupd.o ssconv.o sseigt.o ssesrt.o sseupd.o \
+ssgets.o ssortc.o ssortr.o sstatn.o sstats.o sstqrb.o
+
+$(LIBDIR)/libarpack.a: $(ARPACKLIB)
+	$(AR) libarpack.a $(ARPACKLIB)
+	$(RANLIB) libarpack.a
+	mv libarpack.a $(LIBDIR)
+
+clean:
+	-/bin/rm -f *.o _*.f
+
+uninstall:
+	-rm -f $(LIBDIR)/libarpack.a
+

arpack/debug.h

@@ -0,0 +1,17 @@
+c
+c\SCCS Information: @(#) 
+c FILE: debug.h   SID: 2.3   DATE OF SID: 11/16/95   RELEASE: 2 
+c
+c     %---------------------------------%
+c     | See debug.doc for documentation |
+c     %---------------------------------%
+      integer  logfil, ndigit, mgetv0,
+     &         msaupd, msaup2, msaitr, mseigt, msapps, msgets, mseupd,
+     &         mnaupd, mnaup2, mnaitr, mneigh, mnapps, mngets, mneupd,
+     &         mcaupd, mcaup2, mcaitr, mceigh, mcapps, mcgets, mceupd
+      common /debug/ 
+     &         logfil, ndigit, mgetv0,
+     &         msaupd, msaup2, msaitr, mseigt, msapps, msgets, mseupd,
+     &         mnaupd, mnaup2, mnaitr, mneigh, mnapps, mngets, mneupd,
+     &         mcaupd, mcaup2, mcaitr, mceigh, mcapps, mcgets, mceupd
+