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access;
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	RELEASE_3_2_0:1.1.1.1
	RELEASE_3_1_0:1.1.1.1
	RELEASE_2_2_8:1.1.1.1
	v3_6:1.1.1.1
	GLJOHNS:1.1.1;
locks; strict;
comment	@# @;


1.18
date	2012.12.01.02.03.33;	author svnexp;	state dead;
branches;
next	1.17;

1.17
date	2011.01.31.11.45.44;	author miwi;	state Exp;
branches;
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1.16
date	2007.01.12.12.21.21;	author maho;	state Exp;
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1.15
date	2004.08.19.22.24.21;	author thierry;	state Exp;
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1.14
date	2003.07.25.07.19.40;	author maho;	state Exp;
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1.13
date	2003.07.25.02.48.05;	author maho;	state Exp;
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1.12
date	2003.07.19.03.48.44;	author maho;	state Exp;
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1.11
date	2002.01.19.15.15.16;	author ijliao;	state Exp;
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1.10
date	2001.09.13.01.13.52;	author lioux;	state Exp;
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1.9
date	2001.04.20.14.01.35;	author olgeni;	state Exp;
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1.8
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desc
@@


1.18
log
@## SVN ## Exported commit - http://svnweb.freebsd.org/changeset/base/308054
## SVN ## CVS IS DEPRECATED: http://wiki.freebsd.org/CvsIsDeprecated
## SVN ##
## SVN ## ------------------------------------------------------------------------
## SVN ## r308054 | sperber | 2012-12-01 00:00:43 +0000 (Sat, 01 Dec 2012) | 10 lines
## SVN ##
## SVN ## - Update to version 6.1.01
## SVN ## - Add MAKE_JOBS_SAFE
## SVN ## - Convert to optionsng
## SVN ## - Trim Makefile header
## SVN ##
## SVN ## PR:           ports/171971
## SVN ## Submitted by: KATO Tsuguru <tkato432 _at_ yahoo.com>
## SVN ## Approved by:  beat (mentor)
## SVN ## Feature safe: yes
## SVN ##
## SVN ## ------------------------------------------------------------------------
## SVN ##
@
text
@--- ../make/Makefile.orig	2010-08-25 00:58:16.000000000 +0400
+++ ../make/Makefile	2011-01-22 01:12:41.000000000 +0300
@@@@ -9,8 +9,8 @@@@
 ##
 ##   1. make all              Build all the TINKER executables
 ##   2. make rename           Move the executables to BINDIR
-##   3. make remove_links     Create soft links in LINKDIR
-##   4. make create_links     Remove soft links from LINKDIR
+##   3. make remove_links     Remove soft links in LINKDIR
+##   4. make create_links     Create soft links from LINKDIR
 ##   6. make listing          Concatenate source to tinker.txt
 ##   5. make clean            Delete objects and executables
 ##
@@@@ -30,9 +30,9 @@@@
 ##  LINKDIR      Linked Copies of TINKER Executables
 ##
 
-TINKERDIR = /Users/ponder/tinker
-BINDIR = $(TINKERDIR)/bin
-LINKDIR = /usr/local/bin
+TINKERDIR = ${WRKDIR}
+BINDIR = ${PREFIX}/bin
+#LINKDIR = /usr/local/bin
 
 ####################################################################
 ##  Known Machine Types; Uncomment One of the Following Sections  ##
@@@@ -40,6 +40,20 @@@@
 ####################################################################
 
 ##
+##  Machine:  IntelPC / FreeBSD
+##  CPU Type: Intel, AMD, Cyrix
+##  Oper Sys: FreeBSD 4.2
+##  Compiler: f77 , aka g77
+##
+
+F77 = ${FC}
+LIBS =
+F77FLAGS = -c %%FFLAGS%%
+LINKFLAGS =
+OPTFLAGS = 
+LIBFLAGS = -rcuv
+
+##
 ##  Machine:  Generic Linux
 ##  CPU Type: Intel x86 Compatible
 ##  Oper Sys: Fedora Core
@@@@ -102,12 +116,12 @@@@
 ##  Compiler: Intel Fortran for Mac 11
 ##
 
-F77 = /opt/intel/Compiler/11.1/058/bin/intel64/ifort
-LIBS =
-F77FLAGS = -c -axSSSE3 -vec-report0
-OPTFLAGS = -O3 -no-ipo -no-prec-div
-LIBFLAGS = -crusv
-LINKFLAGS = -static-intel -mmacosx-version-min=10.4
+#F77 = /opt/intel/Compiler/11.1/058/bin/intel64/ifort
+#LIBS =
+#F77FLAGS = -c -axSSSE3 -vec-report0
+#OPTFLAGS = -O3 -no-ipo -no-prec-div
+#LIBFLAGS = -crusv
+#LINKFLAGS = -static-intel -mmacosx-version-min=10.4
 
 ##
 ##  Machine:  Macintosh (PPC)
@@@@ -584,6 +598,8 @@@@
            xyzpdb.x \
            xyzsybyl.x
 
+.SUFFIXES: .x
+
 .f.o:
 	${F77} ${F77FLAGS} ${OPTFLAGS} $*.f 
 
@@@@ -596,8 +612,8 @@@@
 server.o:
 	${F77} ${F77FLAGS} ${OPTFLAGS} server.f
 
-%.x: %.o libtinker.a
-	${F77} ${LINKFLAGS} -o $@@ $^ ${LIBS}
+.o.x: libtinker.a
+	${F77} ${LINKFLAGS} -o $@@ $< libtinker.a ${LIBS}
 
 all:	${EXEFILES}
 
@@@@ -608,63 +624,63 @@@@
 	cat *.i *.f > tinker.txt
 
 rename:
-	mv  alchemy.x    $(BINDIR)/alchemy
-	mv  analyze.x    $(BINDIR)/analyze
-	mv  anneal.x     $(BINDIR)/anneal
-	mv  archive.x    $(BINDIR)/archive
-	mv  correlate.x  $(BINDIR)/correlate
-	mv  crystal.x    $(BINDIR)/crystal
-	mv  diffuse.x    $(BINDIR)/diffuse
-	mv  distgeom.x   $(BINDIR)/distgeom
-	mv  document.x   $(BINDIR)/document
-	mv  dynamic.x    $(BINDIR)/dynamic
-	mv  gda.x        $(BINDIR)/gda
-	mv  intedit.x    $(BINDIR)/intedit
-	mv  intxyz.x     $(BINDIR)/intxyz
-	mv  minimize.x   $(BINDIR)/minimize
-	mv  minirot.x    $(BINDIR)/minirot
-	mv  minrigid.x   $(BINDIR)/minrigid
-	mv  monte.x      $(BINDIR)/monte
-	mv  newton.x     $(BINDIR)/newton
-	mv  newtrot.x    $(BINDIR)/newtrot
-	mv  nucleic.x    $(BINDIR)/nucleic
-	mv  optimize.x   $(BINDIR)/optimize
-	mv  optirot.x    $(BINDIR)/optirot
-	mv  optrigid.x   $(BINDIR)/optrigid
-	mv  path.x       $(BINDIR)/path
-	mv  pdbxyz.x     $(BINDIR)/pdbxyz
-	mv  polarize.x   $(BINDIR)/polarize
-	mv  poledit.x    $(BINDIR)/poledit
-	mv  potential.x  $(BINDIR)/potential
-	mv  prmedit.x    $(BINDIR)/prmedit
-	mv  protein.x    $(BINDIR)/protein
-	mv  pss.x        $(BINDIR)/pss
-	mv  pssrigid.x   $(BINDIR)/pssrigid
-	mv  pssrot.x     $(BINDIR)/pssrot
-	mv  radial.x     $(BINDIR)/radial
-	mv  saddle.x     $(BINDIR)/saddle
-	mv  scan.x       $(BINDIR)/scan
-	mv  sniffer.x    $(BINDIR)/sniffer
-	mv  spacefill.x  $(BINDIR)/spacefill
-	mv  spectrum.x   $(BINDIR)/spectrum
-	mv  superpose.x  $(BINDIR)/superpose
-	mv  sybylxyz.x   $(BINDIR)/sybylxyz
-	mv  testgrad.x   $(BINDIR)/testgrad
-	mv  testhess.x   $(BINDIR)/testhess
-	mv  testpair.x   $(BINDIR)/testpair
-	mv  testrot.x    $(BINDIR)/testrot
-	mv  timer.x      $(BINDIR)/timer
-	mv  timerot.x    $(BINDIR)/timerot
-	mv  valence.x    $(BINDIR)/valence
-	mv  vibbig.x     $(BINDIR)/vibbig
-	mv  vibrate.x    $(BINDIR)/vibrate
-	mv  vibrot.x     $(BINDIR)/vibrot
-	mv  xtalfit.x    $(BINDIR)/xtalfit
-	mv  xtalmin.x    $(BINDIR)/xtalmin
-	mv  xyzedit.x    $(BINDIR)/xyzedit
-	mv  xyzint.x     $(BINDIR)/xyzint
-	mv  xyzpdb.x     $(BINDIR)/xyzpdb
-	mv  xyzsybyl.x   $(BINDIR)/xyzsybyl
+	${INSTALL_PROGRAM}  alchemy.x    $(BINDIR)/alchemy
+	${INSTALL_PROGRAM}  analyze.x    $(BINDIR)/analyze
+	${INSTALL_PROGRAM}  anneal.x     $(BINDIR)/anneal
+	${INSTALL_PROGRAM}  archive.x    $(BINDIR)/archive
+	${INSTALL_PROGRAM}  correlate.x  $(BINDIR)/correlate
+	${INSTALL_PROGRAM}  crystal.x    $(BINDIR)/crystal
+	${INSTALL_PROGRAM}  diffuse.x    $(BINDIR)/diffuse
+	${INSTALL_PROGRAM}  distgeom.x   $(BINDIR)/distgeom
+	${INSTALL_PROGRAM}  document.x   $(BINDIR)/document
+	${INSTALL_PROGRAM}  dynamic.x    $(BINDIR)/dynamic
+	${INSTALL_PROGRAM}  gda.x        $(BINDIR)/gda
+	${INSTALL_PROGRAM}  intedit.x    $(BINDIR)/intedit
+	${INSTALL_PROGRAM}  intxyz.x     $(BINDIR)/intxyz
+	${INSTALL_PROGRAM}  minimize.x   $(BINDIR)/minimize
+	${INSTALL_PROGRAM}  minirot.x    $(BINDIR)/minirot
+	${INSTALL_PROGRAM}  minrigid.x   $(BINDIR)/minrigid
+	${INSTALL_PROGRAM}  monte.x      $(BINDIR)/monte
+	${INSTALL_PROGRAM}  newton.x     $(BINDIR)/newton
+	${INSTALL_PROGRAM}  newtrot.x    $(BINDIR)/newtrot
+	${INSTALL_PROGRAM}  nucleic.x    $(BINDIR)/nucleic
+	${INSTALL_PROGRAM}  optimize.x   $(BINDIR)/optimize
+	${INSTALL_PROGRAM}  optirot.x    $(BINDIR)/optirot
+	${INSTALL_PROGRAM}  optrigid.x   $(BINDIR)/optrigid
+	${INSTALL_PROGRAM}  path.x       $(BINDIR)/path
+	${INSTALL_PROGRAM}  pdbxyz.x     $(BINDIR)/pdbxyz
+	${INSTALL_PROGRAM}  polarize.x   $(BINDIR)/polarize
+	${INSTALL_PROGRAM}  poledit.x    $(BINDIR)/poledit
+	${INSTALL_PROGRAM}  potential.x  $(BINDIR)/potential
+	${INSTALL_PROGRAM}  prmedit.x    $(BINDIR)/prmedit
+	${INSTALL_PROGRAM}  protein.x    $(BINDIR)/protein
+	${INSTALL_PROGRAM}  pss.x        $(BINDIR)/pss
+	${INSTALL_PROGRAM}  pssrigid.x   $(BINDIR)/pssrigid
+	${INSTALL_PROGRAM}  pssrot.x     $(BINDIR)/pssrot
+	${INSTALL_PROGRAM}  radial.x     $(BINDIR)/radial
+	${INSTALL_PROGRAM}  saddle.x     $(BINDIR)/saddle
+	${INSTALL_PROGRAM}  scan.x       $(BINDIR)/scan
+	${INSTALL_PROGRAM}  sniffer.x    $(BINDIR)/sniffer
+	${INSTALL_PROGRAM}  spacefill.x  $(BINDIR)/spacefill
+	${INSTALL_PROGRAM}  spectrum.x   $(BINDIR)/spectrum
+	${INSTALL_PROGRAM}  superpose.x  $(BINDIR)/superpose
+	${INSTALL_PROGRAM}  sybylxyz.x   $(BINDIR)/sybylxyz
+	${INSTALL_PROGRAM}  testgrad.x   $(BINDIR)/testgrad
+	${INSTALL_PROGRAM}  testhess.x   $(BINDIR)/testhess
+	${INSTALL_PROGRAM}  testpair.x   $(BINDIR)/testpair
+	${INSTALL_PROGRAM}  testrot.x    $(BINDIR)/testrot
+	${INSTALL_PROGRAM}  timer.x      $(BINDIR)/timer
+	${INSTALL_PROGRAM}  timerot.x    $(BINDIR)/timerot
+	${INSTALL_PROGRAM}  valence.x    $(BINDIR)/valence
+	${INSTALL_PROGRAM}  vibbig.x     $(BINDIR)/vibbig
+	${INSTALL_PROGRAM}  vibrate.x    $(BINDIR)/vibrate
+	${INSTALL_PROGRAM}  vibrot.x     $(BINDIR)/vibrot
+	${INSTALL_PROGRAM}  xtalfit.x    $(BINDIR)/xtalfit
+	${INSTALL_PROGRAM}  xtalmin.x    $(BINDIR)/xtalmin
+	${INSTALL_PROGRAM}  xyzedit.x    $(BINDIR)/xyzedit
+	${INSTALL_PROGRAM}  xyzint.x     $(BINDIR)/xyzint
+	${INSTALL_PROGRAM}  xyzpdb.x     $(BINDIR)/xyzpdb
+	${INSTALL_PROGRAM}  xyzsybyl.x   $(BINDIR)/xyzsybyl
 
 remove_links:
 	rm -f $(LINKDIR)/alchemy
@


1.17
log
@- Update to 5.1.09

PR:		154359
Submitted by:	Ruslan Mahmatkhanov <cvs-src@@yandex.ru>
Feature safe:	yes
@
text
@@


1.16
log
@* Migrate to gfortran.
* Bump port revision.
@
text
@d1 2
a2 2
--- ../make/Makefile.orig	Thu Aug 19 17:37:44 2004
+++ ../make/Makefile	Thu Aug 19 22:52:41 2004
d18 1
a18 1
-TINKERDIR = /user/ponder/tinker
d27 2
a28 3
@@@@ -122,6 +122,20 @@@@
 #LIBFLAGS = -crusv
 #LINKFLAGS =
d30 1
a30 1
+##
d44 24
a67 4
 #################################################################
 ##  Should not be Necessary to Change Things Below this Point  ##
 #################################################################
@@@@ -529,11 +543,13 @@@@
d76 4
d87 1
a87 1
@@@@ -544,59 +560,59 @@@@
d117 2
d134 1
a134 1
-	mv  testlight.x  $(BINDIR)/testlight
d138 2
d174 2
d191 1
a191 1
+	${INSTALL_PROGRAM}  testlight.x  $(BINDIR)/testlight
d195 2
@


1.15
log
@- Unbreak by upgrading to 4.2;

- Use DIST_SUBDIR because tarball is not versioned;

- Add sysdate to PORTVERSION to handle minor revisions;

- Do some cleaning.
@
text
@d40 1
a40 1
+F77FLAGS = -Wno-globals -fno-globals -c -w
d42 1
a42 1
+OPTFLAGS = %%FFLAGS%%
@


1.14
log
@a) Some corrupts with Makefile and pkg-plist.
b) forgot to notice that drop maintainership to ports@@

Submitted by:	Glenn Johnson <gjohnson@@srrc.ars.usda.gov>
Pointy hat to:	myself
@
text
@d1 2
a2 2
--- ../make/Makefile.orig	Sat Apr 19 03:32:36 2003
+++ ../make/Makefile	Fri Jul 25 11:33:40 2003
a26 19
@@@@ -101,12 +101,12 @@@@
 ##  Compiler: Intel Fortran
 ##
 
-F77 = /usr/intel/compiler70/ia32/bin/ifc
-LIBS =
-F77FLAGS = -c
-OPTFLAGS = -O2 -cm -w
-LIBFLAGS = -crusv
-LINKFLAGS = -Vaxlib
+#F77 = /usr/intel/compiler70/ia32/bin/ifc
+#LIBS =
+#F77FLAGS = -c
+#OPTFLAGS = -O2 -cm -w
+#LIBFLAGS = -crusv
+#LINKFLAGS = -Vaxlib
 
 ##
 ##  Machine:  IntelPC / Linux
d48 1
a48 1
@@@@ -522,11 +536,13 @@@@
d64 1
a64 1
@@@@ -537,58 +553,58 @@@@
d94 1
d147 1
@


1.13
log
@a) Forgot to update distinfo 52498
b) added LEGAL. author requests no distribution
   except from his FTP site
c) clean-ups for compiler optimization

Submitted by:	Glenn Johnson <gjohnson@@srrc.ars.usda.gov>
Pointy hat to:	maho; partially :)
@
text
@d61 1
a61 1
+OPTFLAGS = ${FFLAGS}
@


1.12
log
@Maintainer update of biology/tinker port to version 4.0.

PR:		52498
Submitted by:	Glenn Johnson <gjohnson@@srrc.ars.usda.gov>
@
text
@d1 2
a2 2
--- ../make/Makefile.orig	Wed Nov 14 01:16:27 2001
+++ ../make/Makefile	Sat Jul 19 12:22:51 2003
d27 2
a28 2
@@@@ -87,12 +87,12 @@@@
 ##  Compiler: GNU g77
d31 1
a31 1
-F77 = /usr/bin/g77
d34 1
a34 1
-OPTFLAGS = -O3 -ffast-math
d36 2
a37 2
-LINKFLAGS =
+#F77 = /usr/bin/g77
d40 1
a40 1
+#OPTFLAGS = -O3 -ffast-math
d42 1
a42 1
+#LINKFLAGS =
d46 1
a46 1
@@@@ -108,6 +108,24 @@@@
d61 1
a61 5
+
+OPTFLAGS = ${FFLAGS} -ffast-math
+.if ${MACHINE_ARCH} == "i386"
+OPTFLAGS += -malign-double
+.endif
d67 1
a67 1
@@@@ -497,11 +515,13 @@@@
d83 1
a83 1
@@@@ -512,58 +532,58 @@@@
@


1.11
log
@Upgrade tinker to the latest revision

PR:		33425
Submitted by:	maintainer
@
text
@d1 2
a2 2
--- ../make/Makefile.orig	Tue Nov 13 10:16:27 2001
+++ ../make/Makefile	Mon Dec 31 15:33:40 2001
@


1.10
log
@Update to 3.9

PR:		30398
Submitted by:	MAINTAINER
@
text
@d1 2
a2 2
--- ../make/Makefile.orig	Sat Jul 21 10:04:48 2001
+++ ../make/Makefile	Wed Sep  5 13:51:19 2001
d71 1
a71 1
@@@@ -494,11 +512,13 @@@@
d87 1
a87 1
@@@@ -509,57 +529,57 @@@@
d107 1
d159 1
a197 10
@@@@ -682,8 +702,8 @@@@
         bspline.o \
         calendar.o \
         center.o \
-        chkxyz.o \
         cholesky.o \
+        chkxyz.o \
         clock.o \
         cluster.o \
         column.o \
@


1.9
log
@Update distfile checksum (PORTREVISION bumped)

also:

* Change maintainer's email address.
* Remove support for older FreeBSD versions.

PR:		26710
Submitted by:	Glenn Johnson <gjohnson@@srrc.ars.usda.gov>
@
text
@d1 2
a2 2
--- ../make/Makefile.orig	Mon Jan 15 12:39:52 2001
+++ ../make/Makefile	Thu Apr 19 14:39:26 2001
d71 1
a71 1
@@@@ -486,11 +504,13 @@@@
d87 1
a87 1
@@@@ -501,56 +521,56 @@@@
d115 1
d166 1
d196 1
a196 1
@@@@ -671,8 +691,8 @@@@
@


1.8
log
@update from 3.7 to 3.8

PR:		24371
Submitted by:	MAINTAINER
@
text
@d2 1
a2 1
+++ ../make/Makefile	Mon Jan 15 15:48:37 2001
d46 1
a46 1
@@@@ -108,6 +108,35 @@@@
d55 1
a57 11
+.if ${FC}==f77
+.if !defined(HAVE_G2C)
+LIBS = -lU77
+F77FLAGS = -NL400 -c -w
+LINKFLAGS = -L${PREFIX}/lib
+.else
+LIBS =
+F77FLAGS = -Wno-globals -fno-globals -c -w
+LINKFLAGS =
+.endif
+.elseif ${FC}==g77
a60 1
+.endif
d71 1
a71 1
@@@@ -486,11 +515,13 @@@@
d87 1
a87 1
@@@@ -501,56 +532,56 @@@@
d194 1
a194 1
@@@@ -671,8 +702,8 @@@@
@


1.7
log
@Clean up this port so that it installs stuff in a more proper location
as per hier(7) and Porter's Handbook.

PR:		18929
Submitted by:	MAINTAINER
@
text
@d1 2
a2 2
--- ../make/Makefile.orig	Mon Jul 12 10:56:36 1999
+++ ../make/Makefile	Wed May 31 16:00:31 2000
d27 2
a28 2
@@@@ -45,13 +45,13 @@@@
 ##  Compiler: DEC Fortran 77/90, V4.1
d31 1
a31 2
-F77 = /usr/bin/f77
-RM = /sbin/rm
d34 4
a37 5
-OPTFLAGS = -fast -tune host
-LIBFLAGS = -rlv
-LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched
+#F77 = /usr/bin/f77
+#RM = /sbin/rm
d40 3
a42 3
+#OPTFLAGS = -fast -tune host
+#LIBFLAGS = -rlv
+#LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched
d45 4
a48 4
 ##  Machine:  Silicon Graphics
@@@@ -104,6 +104,40 @@@@
 #diagq.o:
 #	${F77} ${F77FLAGS} -ffast-math diagq.f
d51 4
a54 5
+##  Machine: IntelPC
+##  CPU Type:        Pentium Pro
+##  Oper Sys:        FreeBSD 3.0
+##  Compiler:        f77(f2c/gcc version 2.7.2.1) || egcs g77
+##
a56 2
+RM = /bin/rm
+
d68 1
a68 1
+LIBS=
d75 1
a75 1
+OPTFLAGS+= -malign-double
a77 2
+diagq.o:
+	${F77} ${F77FLAGS} -ffast-math diagq.f
d82 18
a99 10
@@@@ -775,6 +809,7 @@@@
         volume2.o \
         writeout.o \
         xyzatm.o
+	ranlib libtinker.a
 
 alchemy.x:
 	${F77} ${LINKFLAGS} -o alchemy.x alchemy.o libtinker.a ${LIBS}
@@@@ -868,51 +903,51 @@@@
 	${F77} ${LINKFLAGS} -o xyzsybyl.x xyzsybyl.o libtinker.a ${LIBS}
d108 1
d117 1
d120 1
d130 1
d135 1
d158 1
d167 1
d170 1
d180 1
d185 1
d205 10
@


1.6
log
@Update to new version.

PR:		13459
Submitted by:	maintainer
@
text
@d2 1
a2 1
+++ ../make/Makefile	Sun Aug 29 15:07:57 1999
d65 1
a65 1
+F77FLAGS = -NL400 -c
d68 2
a69 2
+LIBS = -lg2c
+F77FLAGS = -Wno-globals -fno-globals -c
d74 1
a74 1
+F77FLAGS = -Wno-globals -fno-globals -c
d146 45
a190 45
+	${INSTALL} -c -s  alchemy.x    $(BINDIR)/alchemy
+	${INSTALL} -c -s  analyze.x    $(BINDIR)/analyze
+	${INSTALL} -c -s  anneal.x     $(BINDIR)/anneal
+	${INSTALL} -c -s  archive.x    $(BINDIR)/archive
+	${INSTALL} -c -s  correlate.x  $(BINDIR)/correlate
+	${INSTALL} -c -s  crystal.x    $(BINDIR)/crystal
+	${INSTALL} -c -s  distgeom.x   $(BINDIR)/distgeom
+	${INSTALL} -c -s  document.x   $(BINDIR)/document
+	${INSTALL} -c -s  dynamic.x    $(BINDIR)/dynamic
+	${INSTALL} -c -s  gda.x        $(BINDIR)/gda
+	${INSTALL} -c -s  intedit.x    $(BINDIR)/intedit
+	${INSTALL} -c -s  intxyz.x     $(BINDIR)/intxyz
+	${INSTALL} -c -s  minimize.x   $(BINDIR)/minimize
+	${INSTALL} -c -s  minirot.x    $(BINDIR)/minirot
+	${INSTALL} -c -s  newton.x     $(BINDIR)/newton
+	${INSTALL} -c -s  newtrot.x    $(BINDIR)/newtrot
+	${INSTALL} -c -s  optimize.x   $(BINDIR)/optimize
+	${INSTALL} -c -s  optirot.x    $(BINDIR)/optirot
+	${INSTALL} -c -s  optrigid.x   $(BINDIR)/optrigid
+	${INSTALL} -c -s  path.x       $(BINDIR)/path
+	${INSTALL} -c -s  pdbxyz.x     $(BINDIR)/pdbxyz
+	${INSTALL} -c -s  protein.x    $(BINDIR)/protein
+	${INSTALL} -c -s  pss.x        $(BINDIR)/pss
+	${INSTALL} -c -s  pssrigid.x   $(BINDIR)/pssrigid
+	${INSTALL} -c -s  pssrot.x     $(BINDIR)/pssrot
+	${INSTALL} -c -s  saddle.x     $(BINDIR)/saddle
+	${INSTALL} -c -s  scan.x       $(BINDIR)/scan
+	${INSTALL} -c -s  sniffer.x    $(BINDIR)/sniffer
+	${INSTALL} -c -s  spacefill.x  $(BINDIR)/spacefill
+	${INSTALL} -c -s  superpose.x  $(BINDIR)/superpose
+	${INSTALL} -c -s  sybylxyz.x   $(BINDIR)/sybylxyz
+	${INSTALL} -c -s  testgrad.x   $(BINDIR)/testgrad
+	${INSTALL} -c -s  testhess.x   $(BINDIR)/testhess
+	${INSTALL} -c -s  testlight.x  $(BINDIR)/testlight
+	${INSTALL} -c -s  testrot.x    $(BINDIR)/testrot
+	${INSTALL} -c -s  timer.x      $(BINDIR)/timer
+	${INSTALL} -c -s  timerot.x    $(BINDIR)/timerot
+	${INSTALL} -c -s  vibrate.x    $(BINDIR)/vibrate
+	${INSTALL} -c -s  vibrot.x     $(BINDIR)/vibrot
+	${INSTALL} -c -s  xtalfit.x    $(BINDIR)/xtalfit
+	${INSTALL} -c -s  xtalmin.x    $(BINDIR)/xtalmin
+	${INSTALL} -c -s  xyzedit.x    $(BINDIR)/xyzedit
+	${INSTALL} -c -s  xyzint.x     $(BINDIR)/xyzint
+	${INSTALL} -c -s  xyzpdb.x     $(BINDIR)/xyzpdb
+	${INSTALL} -c -s  xyzsybyl.x   $(BINDIR)/xyzsybyl
@


1.5
log
@Clean up warnings for -current (g77)

Submitted by:	maintainer
@
text
@d1 2
a2 2
--- ../make/Makefile.orig	Mon Jun 14 10:23:04 1999
+++ ../make/Makefile	Thu Jun 24 22:48:51 1999
d89 1
a89 1
@@@@ -765,6 +799,7 @@@@
d97 1
a97 1
@@@@ -858,51 +893,51 @@@@
@


1.4
log
@Change ${INSTALL} to use -s and -c.

Requested by:	maintainer
@
text
@d1 2
a2 2
--- ../make/Makefile.orig	Mon Jun 14 08:23:04 1999
+++ ../make/Makefile	Tue Jun 22 17:13:26 1999
d48 1
a48 1
@@@@ -104,6 +104,38 @@@@
d65 2
d69 2
a71 2
+F77FLAGS = -NL400 -c
+LINKFLAGS = -L${PREFIX}/lib
d89 1
a89 1
@@@@ -765,6 +797,7 @@@@
d97 1
a97 1
@@@@ -858,51 +891,51 @@@@
@


1.3
log
@Update tinker from version 3.6 to version 3.7

PR:	12301
Submitted by:	maintainer
@
text
@d144 45
a188 45
+	${INSTALL_PROGRAM}  alchemy.x    $(BINDIR)/alchemy
+	${INSTALL_PROGRAM}  analyze.x    $(BINDIR)/analyze
+	${INSTALL_PROGRAM}  anneal.x     $(BINDIR)/anneal
+	${INSTALL_PROGRAM}  archive.x    $(BINDIR)/archive
+	${INSTALL_PROGRAM}  correlate.x  $(BINDIR)/correlate
+	${INSTALL_PROGRAM}  crystal.x    $(BINDIR)/crystal
+	${INSTALL_PROGRAM}  distgeom.x   $(BINDIR)/distgeom
+	${INSTALL_PROGRAM}  document.x   $(BINDIR)/document
+	${INSTALL_PROGRAM}  dynamic.x    $(BINDIR)/dynamic
+	${INSTALL_PROGRAM}  gda.x        $(BINDIR)/gda
+	${INSTALL_PROGRAM}  intedit.x    $(BINDIR)/intedit
+	${INSTALL_PROGRAM}  intxyz.x     $(BINDIR)/intxyz
+	${INSTALL_PROGRAM}  minimize.x   $(BINDIR)/minimize
+	${INSTALL_PROGRAM}  minirot.x    $(BINDIR)/minirot
+	${INSTALL_PROGRAM}  newton.x     $(BINDIR)/newton
+	${INSTALL_PROGRAM}  newtrot.x    $(BINDIR)/newtrot
+	${INSTALL_PROGRAM}  optimize.x   $(BINDIR)/optimize
+	${INSTALL_PROGRAM}  optirot.x    $(BINDIR)/optirot
+	${INSTALL_PROGRAM}  optrigid.x   $(BINDIR)/optrigid
+	${INSTALL_PROGRAM}  path.x       $(BINDIR)/path
+	${INSTALL_PROGRAM}  pdbxyz.x     $(BINDIR)/pdbxyz
+	${INSTALL_PROGRAM}  protein.x    $(BINDIR)/protein
+	${INSTALL_PROGRAM}  pss.x        $(BINDIR)/pss
+	${INSTALL_PROGRAM}  pssrigid.x   $(BINDIR)/pssrigid
+	${INSTALL_PROGRAM}  pssrot.x     $(BINDIR)/pssrot
+	${INSTALL_PROGRAM}  saddle.x     $(BINDIR)/saddle
+	${INSTALL_PROGRAM}  scan.x       $(BINDIR)/scan
+	${INSTALL_PROGRAM}  sniffer.x    $(BINDIR)/sniffer
+	${INSTALL_PROGRAM}  spacefill.x  $(BINDIR)/spacefill
+	${INSTALL_PROGRAM}  superpose.x  $(BINDIR)/superpose
+	${INSTALL_PROGRAM}  sybylxyz.x   $(BINDIR)/sybylxyz
+	${INSTALL_PROGRAM}  testgrad.x   $(BINDIR)/testgrad
+	${INSTALL_PROGRAM}  testhess.x   $(BINDIR)/testhess
+	${INSTALL_PROGRAM}  testlight.x  $(BINDIR)/testlight
+	${INSTALL_PROGRAM}  testrot.x    $(BINDIR)/testrot
+	${INSTALL_PROGRAM}  timer.x      $(BINDIR)/timer
+	${INSTALL_PROGRAM}  timerot.x    $(BINDIR)/timerot
+	${INSTALL_PROGRAM}  vibrate.x    $(BINDIR)/vibrate
+	${INSTALL_PROGRAM}  vibrot.x     $(BINDIR)/vibrot
+	${INSTALL_PROGRAM}  xtalfit.x    $(BINDIR)/xtalfit
+	${INSTALL_PROGRAM}  xtalmin.x    $(BINDIR)/xtalmin
+	${INSTALL_PROGRAM}  xyzedit.x    $(BINDIR)/xyzedit
+	${INSTALL_PROGRAM}  xyzint.x     $(BINDIR)/xyzint
+	${INSTALL_PROGRAM}  xyzpdb.x     $(BINDIR)/xyzpdb
+	${INSTALL_PROGRAM}  xyzsybyl.x   $(BINDIR)/xyzsybyl
@


1.2
log
@Fix build on -current (Alpha) machines.
@
text
@d1 191
a191 225
*** ../make/Makefile.orig	Sat Apr 11 11:38:14 1998
--- ../make/Makefile	Sat May 22 15:08:09 1999
***************
*** 9,16 ****
  ##
  ##   1. make all              Build all the TINKER executables
  ##   2. make rename           Move the executables to BINDIR
! ##   3. make remove_links     Create soft links in LINKDIR
! ##   4. make create_links     Remove soft links from LINKDIR
  ##   6. make listing          Concatenate source to tinker.txt
  ##   5. make clean            Delete objects and executables
  ##
--- 9,16 ----
  ##
  ##   1. make all              Build all the TINKER executables
  ##   2. make rename           Move the executables to BINDIR
! ##   3. make remove_links     Remove soft links in LINKDIR
! ##   4. make create_links     Create soft links from LINKDIR
  ##   6. make listing          Concatenate source to tinker.txt
  ##   5. make clean            Delete objects and executables
  ##
***************
*** 30,38 ****
  ##  LINKDIR      Linked Copies of TINKER Executables
  ##
  
! TINKERDIR = /user/ponder/tinker
! BINDIR = $(TINKERDIR)/bin
! LINKDIR = /usr/local/bin
  
  ####################################################################
  ##  Known Machine Types; Uncomment One of the Following Sections  ##
--- 30,38 ----
  ##  LINKDIR      Linked Copies of TINKER Executables
  ##
  
! TINKERDIR = ${WRKDIR}
! BINDIR = ${PREFIX}/bin
! #LINKDIR = /usr/local/bin
  
  ####################################################################
  ##  Known Machine Types; Uncomment One of the Following Sections  ##
***************
*** 45,57 ****
  ##  Compiler: DEC Fortran 77/90, V4.1
  ##
  
! F77 = /usr/bin/f77
! RM = /sbin/rm
! LIBS =
! F77FLAGS = -c
! OPTFLAGS = -fast -tune host
! LIBFLAGS = -rlv
! LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched
  
  ##
  ##  Machine:  Silicon Graphics
--- 45,57 ----
  ##  Compiler: DEC Fortran 77/90, V4.1
  ##
  
! #F77 = /usr/bin/f77
! #RM = /sbin/rm
! #LIBS =
! #F77FLAGS = -c
! #OPTFLAGS = -fast -tune host
! #LIBFLAGS = -rlv
! #LINKFLAGS = -fast -non_shared -om -WL,-om_no_inst_sched
  
  ##
  ##  Machine:  Silicon Graphics
***************
*** 104,109 ****
--- 104,141 ----
  #diagq.o:
  #	${F77} ${F77FLAGS} -ffast-math diagq.f
  
+ ##
+ ##  Machine: IntelPC
+ ##  CPU Type:        Pentium Pro
+ ##  Oper Sys:        FreeBSD 3.0
+ ##  Compiler:        f77(f2c/gcc version 2.7.2.1) || egcs g77
+ ##
+ 
+ F77 = ${FC}
+ RM = /bin/rm
+ 
+ .if ${FC}==f77
+ .if !defined(HAVE_G2C)
+ LIBS = -lU77
+ .else
+ LIBS = -lg2c
+ .endif
+ F77FLAGS = -NL400 -c
+ LINKFLAGS = -L${PREFIX}/lib
+ .elseif ${FC}==g77
+ LIBS=
+ F77FLAGS = -Wno-globals -fno-globals -c
+ LINKFLAGS =
+ .endif
+ 
+ OPTFLAGS = ${FFLAGS} -ffast-math
+ .if ${MACHINE_ARCH} == "i386"
+ OPTFLAGS+= -malign-double
+ .endif
+ LIBFLAGS = -rcuv
+ diagq.o:
+ 	${F77} ${F77FLAGS} -ffast-math diagq.f
+ 
  #################################################################
  ##  Should not be Necessary to Change Things Below this Point  ##
  #################################################################
***************
*** 766,771 ****
--- 798,804 ----
          volume2.o \
          writeout.o \
          xyzatm.o
+ 	ranlib libtinker.a
  
  alchemy.x:
  	${F77} ${LINKFLAGS} -o alchemy.x alchemy.o libtinker.a ${LIBS}
***************
*** 857,906 ****
  	${F77} ${LINKFLAGS} -o xyzsybyl.x xyzsybyl.o libtinker.a ${LIBS}
  
  rename:
! 	mv  alchemy.x    $(BINDIR)/alchemy
! 	mv  analyze.x    $(BINDIR)/analyze
! 	mv  anneal.x     $(BINDIR)/anneal
! 	mv  archive.x    $(BINDIR)/archive
! 	mv  correlate.x  $(BINDIR)/correlate
! 	mv  crystal.x    $(BINDIR)/crystal
! 	mv  distgeom.x   $(BINDIR)/distgeom
! 	mv  document.x   $(BINDIR)/document
! 	mv  dynamic.x    $(BINDIR)/dynamic
! 	mv  gda.x        $(BINDIR)/gda
! 	mv  intedit.x    $(BINDIR)/intedit
! 	mv  intxyz.x     $(BINDIR)/intxyz
! 	mv  minimize.x   $(BINDIR)/minimize
! 	mv  minirot.x    $(BINDIR)/minirot
! 	mv  newton.x     $(BINDIR)/newton
! 	mv  newtrot.x    $(BINDIR)/newtrot
! 	mv  optimize.x   $(BINDIR)/optimize
! 	mv  optirot.x    $(BINDIR)/optirot
! 	mv  optrigid.x   $(BINDIR)/optrigid
! 	mv  path.x       $(BINDIR)/path
! 	mv  pdbxyz.x     $(BINDIR)/pdbxyz
! 	mv  protein.x    $(BINDIR)/protein
! 	mv  pss.x        $(BINDIR)/pss
! 	mv  pssrigid.x   $(BINDIR)/pssrigid
! 	mv  pssrot.x     $(BINDIR)/pssrot
! 	mv  saddle.x     $(BINDIR)/saddle
! 	mv  sniffer.x    $(BINDIR)/sniffer
! 	mv  spacefill.x  $(BINDIR)/spacefill
! 	mv  superpose.x  $(BINDIR)/superpose
! 	mv  sybylxyz.x   $(BINDIR)/sybylxyz
! 	mv  testgrad.x   $(BINDIR)/testgrad
! 	mv  testhess.x   $(BINDIR)/testhess
! 	mv  testlight.x  $(BINDIR)/testlight
! 	mv  testrot.x    $(BINDIR)/testrot
! 	mv  timer.x      $(BINDIR)/timer
! 	mv  timerot.x    $(BINDIR)/timerot
! 	mv  vibrate.x    $(BINDIR)/vibrate
! 	mv  vibrot.x     $(BINDIR)/vibrot
! 	mv  xtalfit.x    $(BINDIR)/xtalfit
! 	mv  xtalmin.x    $(BINDIR)/xtalmin
! 	mv  xyzedit.x    $(BINDIR)/xyzedit
! 	mv  xyzint.x     $(BINDIR)/xyzint
! 	mv  xyzpdb.x     $(BINDIR)/xyzpdb
! 	mv  xyzsybyl.x   $(BINDIR)/xyzsybyl
  
  remove_links:
  	rm -f $(LINKDIR)/alchemy
--- 890,939 ----
  	${F77} ${LINKFLAGS} -o xyzsybyl.x xyzsybyl.o libtinker.a ${LIBS}
  
  rename:
! 	${INSTALL} -s  alchemy.x    $(BINDIR)/alchemy
! 	${INSTALL} -s  analyze.x    $(BINDIR)/analyze
! 	${INSTALL} -s  anneal.x     $(BINDIR)/anneal
! 	${INSTALL} -s  archive.x    $(BINDIR)/archive
! 	${INSTALL} -s  correlate.x  $(BINDIR)/correlate
! 	${INSTALL} -s  crystal.x    $(BINDIR)/crystal
! 	${INSTALL} -s  distgeom.x   $(BINDIR)/distgeom
! 	${INSTALL} -s  document.x   $(BINDIR)/document
! 	${INSTALL} -s  dynamic.x    $(BINDIR)/dynamic
! 	${INSTALL} -s  gda.x        $(BINDIR)/gda
! 	${INSTALL} -s  intedit.x    $(BINDIR)/intedit
! 	${INSTALL} -s  intxyz.x     $(BINDIR)/intxyz
! 	${INSTALL} -s  minimize.x   $(BINDIR)/minimize
! 	${INSTALL} -s  minirot.x    $(BINDIR)/minirot
! 	${INSTALL} -s  newton.x     $(BINDIR)/newton
! 	${INSTALL} -s  newtrot.x    $(BINDIR)/newtrot
! 	${INSTALL} -s  optimize.x   $(BINDIR)/optimize
! 	${INSTALL} -s  optirot.x    $(BINDIR)/optirot
! 	${INSTALL} -s  optrigid.x   $(BINDIR)/optrigid
! 	${INSTALL} -s  path.x       $(BINDIR)/path
! 	${INSTALL} -s  pdbxyz.x     $(BINDIR)/pdbxyz
! 	${INSTALL} -s  protein.x    $(BINDIR)/protein
! 	${INSTALL} -s  pss.x        $(BINDIR)/pss
! 	${INSTALL} -s  pssrigid.x   $(BINDIR)/pssrigid
! 	${INSTALL} -s  pssrot.x     $(BINDIR)/pssrot
! 	${INSTALL} -s  saddle.x     $(BINDIR)/saddle
! 	${INSTALL} -s  sniffer.x    $(BINDIR)/sniffer
! 	${INSTALL} -s  spacefill.x  $(BINDIR)/spacefill
! 	${INSTALL} -s  superpose.x  $(BINDIR)/superpose
! 	${INSTALL} -s  sybylxyz.x   $(BINDIR)/sybylxyz
! 	${INSTALL} -s  testgrad.x   $(BINDIR)/testgrad
! 	${INSTALL} -s  testhess.x   $(BINDIR)/testhess
! 	${INSTALL} -s  testlight.x  $(BINDIR)/testlight
! 	${INSTALL} -s  testrot.x    $(BINDIR)/testrot
! 	${INSTALL} -s  timer.x      $(BINDIR)/timer
! 	${INSTALL} -s  timerot.x    $(BINDIR)/timerot
! 	${INSTALL} -s  vibrate.x    $(BINDIR)/vibrate
! 	${INSTALL} -s  vibrot.x     $(BINDIR)/vibrot
! 	${INSTALL} -s  xtalfit.x    $(BINDIR)/xtalfit
! 	${INSTALL} -s  xtalmin.x    $(BINDIR)/xtalmin
! 	${INSTALL} -s  xyzedit.x    $(BINDIR)/xyzedit
! 	${INSTALL} -s  xyzint.x     $(BINDIR)/xyzint
! 	${INSTALL} -s  xyzpdb.x     $(BINDIR)/xyzpdb
! 	${INSTALL} -s  xyzsybyl.x   $(BINDIR)/xyzsybyl
  
  remove_links:
  	rm -f $(LINKDIR)/alchemy
@


1.1
log
@Initial revision
@
text
@d2 1
a2 1
--- ../make/Makefile	Sat Nov 14 02:05:02 1998
d74 1
a74 1
--- 104,134 ----
d89 1
d91 3
d102 4
a105 1
+ OPTFLAGS = ${FFLAGS} -ffast-math -malign-double
d115 1
a115 1
--- 791,797 ----
d175 1
a175 1
--- 883,932 ----
@


1.1.1.1
log
@New port of the Tinker Molecular modelling program.

PR:		8690
Reviewed by:	jkoshy
Submitted by:	Glenn Johnson <gljohns@@bellsouth.net>
@
text
@@
