* Migrate to gfortran

* Update to 2005.05 version
* Change master site

8 files changed, 99 insertions, 285 deletions

diff --git a/science/2dhf/Makefile b/science/2dhf/Makefile
index ce7175ce6037..79d90931b3d0 100644
--- a/science/2dhf/Makefile
+++ b/science/2dhf/Makefile
@@ -6,11 +6,10 @@
 #
 
 PORTNAME=	2dhf
-PORTVERSION=	2003.02
-PORTREVISION=	1
+PORTVERSION=	2005.05
 CATEGORIES=	science
-MASTER_SITES=	http://staff.csc.fi/~laaksone/2d/admin/
-DISTNAME=	${PORTNAME}_02.03
+MASTER_SITES=	http://www.fizyka.umk.pl/~jkob/2dhf/
+DISTNAME=	${PORTNAME}-05.05
 EXTRACT_SUFX=	.tgz
 
 MAINTAINER=	maho@FreeBSD.org
@@ -21,8 +20,21 @@ BUILD_DEPENDS=	bash:${PORTSDIR}/shells/bash2
 BUILD_DEPENDS+=  ${LOCALBASE}/intel_fc_80/bin/ifort:${PORTSDIR}/lang/ifc
 BUILD_DEPENDS+=  ${LOCALBASE}/intel_cc_80/bin/icc:${PORTSDIR}/lang/icc
 .endif
-LIB_DEPENDS=	lapack:${PORTSDIR}/math/lapack \
-		atlas:${PORTSDIR}/math/atlas
+
+.if exists(${LOCALBASE}/lib/libatlas_r.so) && !defined(WITH_BLAS)
+WITH_ATLAS=	yes
+.endif
+.if defined(WITH_ATLAS)
+LIB_DEPENDS+=	atlas.1:${PORTSDIR}/math/atlas
+BLAS=		-lf77blas -latlas
+.else
+LIB_DEPENDS+=	blas.1:${PORTSDIR}/math/blas
+LIB_DEPENDS+=	lapack.3:${PORTSDIR}/math/lapack
+BLAS=		-lblas
+.endif
+
+WANT_FORTRAN=yes
+USE_GCC=4.2+
 
 .if defined(WITH_OPTIMIZED_FLAGS)
 FFLAGS+=	-O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double
@@ -31,7 +43,6 @@ FFLAGS+=	-mfancy-math-387
 .endif # i386
 .endif
 
-BLAS=		-lf77blas -latlas
 .if defined(WITH_INTEL)
 FC=		${LOCALBASE}/intel_fc_80/bin/ifort
 CC=		${LOCALBASE}/intel_cc_80/bin/icc
@@ -42,13 +53,13 @@ BLAS+=		-lg2c -lm
 .else
 FFLAGS_ADD=	-w -ffixed-line-length-none
 .endif
+WRKSRC=		${WRKDIR}/${PORTNAME}
+USE_GMAKE=	yes
+ALL_TARGET=	all
 
 pre-everything::
 	@${ECHO_CMD} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
 
-WRKSRC=		${WRKDIR}/${PORTNAME}
-USE_GMAKE=	yes
-
 do-extract:
 	${MKDIR} ${WRKSRC}
 	@(cd ${WRKSRC} ;  ${TAR} xfz ${DISTDIR}/${DISTNAME}${EXTRACT_SUFX})
@@ -64,17 +75,13 @@ post-patch:
 	 ${WRKSRC}/Makefile
 	@${REINPLACE_CMD} -e 's,%%PREFIX%%,${PREFIX},g' \
 	 ${WRKSRC}/bin/xhf
-do-build:
-	@${MKDIR} ${WRKSRC}/obj ; cd ${WRKSRC} ; ${GMAKE}
 
 do-install:
 	@cd ${WRKSRC} ; ${INSTALL_PROGRAM} bin/x2dhf ${PREFIX}/bin/x2dhf
 	@cd ${WRKSRC} ; ${INSTALL_SCRIPT}  bin/xhf   ${PREFIX}/bin/xhf
 .if !defined(NOPORTDOCS)
 	@${MKDIR} ${DOCSDIR}
-	@cd ${WRKSRC}/doc ; ${INSTALL_DATA} 2dhf.pdf users_guide.pdf ${DOCSDIR}
-	@${MKDIR} ${DOCSDIR}/users_guide
-	@cd ${WRKSRC}/doc/users_guide ; ${INSTALL_DATA} * ${DOCSDIR}/users_guide
+	@cd ${WRKSRC}/doc ; ${INSTALL_DATA} 2dhf.pdf users-guide.pdf users-guide.html ${DOCSDIR}
 	@${MKDIR} ${EXAMPLESDIR}
 	@cd ${WRKSRC}/examples/ ; ${TAR} -chf - . | \
 		${TAR} -xf - -C ${EXAMPLESDIR}
diff --git a/science/2dhf/distinfo b/science/2dhf/distinfo
index 19edb8387a3e..2d8ba6dce5e8 100644
--- a/science/2dhf/distinfo
+++ b/science/2dhf/distinfo
@@ -1,3 +1,3 @@
-MD5 (2dhf_02.03.tgz) = b288bd140c3cb2e40dc4425a3d1f7387
-SHA256 (2dhf_02.03.tgz) = 773c20c0e2c9f9102be43e977bd70d06cc008c0a81537dacff8b4a0ab47b890a
-SIZE (2dhf_02.03.tgz) = 1158383
+MD5 (2dhf-05.05.tgz) = 8dbfbb372340f4e8d01ec548377f91de
+SHA256 (2dhf-05.05.tgz) = ace9c6b96d7588cf72c331b0b52baaea76d125c86ea737d31d0b016e50b9354c
+SIZE (2dhf-05.05.tgz) = 1033962
diff --git a/science/2dhf/files/patch-Makefile b/science/2dhf/files/patch-Makefile
index 9b5a382ba630..0841a548e559 100644
--- a/science/2dhf/files/patch-Makefile
+++ b/science/2dhf/files/patch-Makefile
@@ -1,6 +1,22 @@
---- Makefile.orig	Sat Jan 18 08:19:53 2003
-+++ Makefile	Thu Jul 24 17:40:01 2003
-@@ -55,8 +55,9 @@
+--- Makefile.orig	Tue May 17 02:15:36 2005
++++ Makefile	Tue Jan  9 17:36:22 2007
+@@ -45,21 +45,22 @@
+ # of grid and orbital parameters according to expected range of input
+ # data 
+ 
+-#MEMALLOC = main-static.inc
++# MEMALLOC = main-static.inc
+ 
+ # For a Sun workstation with f77 or a PC with g77 compiler 
+-MEMALLOC = main-dynamic-f77.inc
++# MEMALLOC = main-dynamic-f77.inc
+ 
+ # For a DEC workstation and f77 compiler 
+ # MEMALLOC = main-dynamic-f77-dec.inc
+ 
+ # For f90 compiler 
+-# MEMALLOC = main-dynamic-f90.inc
++MEMALLOC = main-dynamic-f90.inc
  
  # set system type/compiler
  # available keywords are: cray, dec, ibm, lahey, linux, sgi, solaris
@@ -8,15 +24,13 @@
  
 -SYSTEM = linux
 +SYSTEM = freebsd
+ #SYSTEM = intel
  
  # if BLAS library is available set the BLAS variable to yes
- BLAS = no
-@@ -145,6 +146,21 @@
- 
- 	CC = gcc
- 	CFLAGS =
-+endif	
-+
+@@ -189,6 +190,20 @@
+ 	CC = cc
+ 	CFLAGS = 
+ endif
 +# FreeBSD 
 +ifeq ($(SYSTEM),freebsd)
 +	FC = %%FC%%
@@ -30,6 +44,7 @@
 +
 +	CC = %%CC%%
 +	CFLAGS = %%CFLAGS%%
- endif	
++ endif	
+ 
  
- # SGI
+ # nothing to be set below this line
diff --git a/science/2dhf/files/patch-main-dynamic-f90.inc b/science/2dhf/files/patch-main-dynamic-f90.inc
new file mode 100644
index 000000000000..6c7aeb414ae7
--- /dev/null
+++ b/science/2dhf/files/patch-main-dynamic-f90.inc
@@ -0,0 +1,9 @@
+--- src/main-dynamic-f90.inc~	Tue May 17 02:22:50 2005
++++ src/main-dynamic-f90.inc	Tue Jan  9 17:39:08 2007
+@@ -1,5 +1,5 @@
+       real*8,    dimension(:),allocatable :: cw_orb
+-      real*8,    dimension(:),allocatable :
++      real*8,    dimension(:),allocatable :: cw_coul
+       real*8,    dimension(:),allocatable :: cw_exch
+       real*8,    dimension(:),allocatable :: cw_suppl
+       real*8,    dimension(:),allocatable :: cw_sctch
diff --git a/science/2dhf/files/patch-src+inihf.f b/science/2dhf/files/patch-src+inihf.f
new file mode 100644
index 000000000000..b8eda8a214dd
--- /dev/null
+++ b/science/2dhf/files/patch-src+inihf.f
@@ -0,0 +1,10 @@
+--- src/inihf.f~	Tue May 17 02:22:50 2005
++++ src/inihf.f	Tue Jan  9 17:12:22 2007
+@@ -20,6 +20,7 @@
+       implicit integer*4 (i-n)
+       implicit real*8 (a-h,o-z)
+       character*8 atom1,term1,atom2,term2
++      integer ouf2dhf1, ouf2dhf2
+       include 'commons8.inc'
+       dimension psi(*),pot(*),excp(*),f2(*),f4(*),wgt2(*),wk0(*)
+       dimension rhf1(9999),phf1(20,9999),ehf1(20),qc1(20),
diff --git a/science/2dhf/files/patch-src+setconst.f b/science/2dhf/files/patch-src+setconst.f
new file mode 100644
index 000000000000..efd798b3a872
--- /dev/null
+++ b/science/2dhf/files/patch-src+setconst.f
@@ -0,0 +1,11 @@
+--- src/setconst.f.org	Tue Jan  9 17:41:30 2007
++++ src/setconst.f	Tue Jan  9 17:41:42 2007
+@@ -31,7 +31,7 @@
+ 
+ c     set default lengths of integer and real constants and variables used
+ 
+-      i8tmp1=2**31
++      i8tmp1=2**30
+       i8tmp2=100000*i8tmp1
+       i4tmp1=i8tmp2
+       if (i4tmp1.eq.0) then
diff --git a/science/2dhf/pkg-descr b/science/2dhf/pkg-descr
index 90fc46d8cf5d..a2bcfdc89b95 100644
--- a/science/2dhf/pkg-descr
+++ b/science/2dhf/pkg-descr
@@ -5,4 +5,5 @@ and Hartree-Fock-Slater equations for diatomic molecules. The
 lowest eigenstates of a given irreducible representation and
 spin can be obtained. Distributed under GPL.
 
-WWW: http://staff.csc.fi/~laaksone/Num2d.html
+WWW: http://scarecrow.1g.fi/2d/admin/getit.html
+
diff --git a/science/2dhf/pkg-plist b/science/2dhf/pkg-plist
index 45976f4abab2..a00732ad3b6d 100644
--- a/science/2dhf/pkg-plist
+++ b/science/2dhf/pkg-plist
@@ -1,259 +1,8 @@
 bin/xhf
 bin/x2dhf
 %%PORTDOCS%%%%DOCSDIR%%/2dhf.pdf
-%%PORTDOCS%%%%DOCSDIR%%/users_guide.pdf
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/index.html
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide.html
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/node1.html
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/node2.html
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/node3.html
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/node4.html
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/node5.html
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/node6.html
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/node7.html
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/footnode.html
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/images.tex
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/img3.png
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-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-labels.pl
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-images.pl
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-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-img11.png
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-img10.png
-%%PORTDOCS%%@dirrm %%DOCSDIR%%/users_guide
+%%PORTDOCS%%%%DOCSDIR%%/users-guide.pdf
+%%PORTDOCS%%%%DOCSDIR%%/users-guide.html
 %%PORTDOCS%%@dirrm %%DOCSDIR%%
 %%PORTDOCS%%%%EXAMPLESDIR%%/bf/bf_g94la.out
 %%PORTDOCS%%%%EXAMPLESDIR%%/bf/bf_g94.out
@@ -275,12 +24,22 @@ bin/x2dhf
 %%PORTDOCS%%%%EXAMPLESDIR%%/h2/h2.output
 %%PORTDOCS%%%%EXAMPLESDIR%%/h2/h2a.data
 %%PORTDOCS%%%%EXAMPLESDIR%%/h2/h2b.data
+%%PORTDOCS%%%%EXAMPLESDIR%%/h2+/h2+.data
+%%PORTDOCS%%%%EXAMPLESDIR%%/h2+/h2+.output
+%%PORTDOCS%%%%EXAMPLESDIR%%/h2+/h2plus.data
+%%PORTDOCS%%%%EXAMPLESDIR%%/h2+/h2plus.output
 %%PORTDOCS%%%%EXAMPLESDIR%%/c/c.data
 %%PORTDOCS%%%%EXAMPLESDIR%%/c/cplus.data
 %%PORTDOCS%%%%EXAMPLESDIR%%/c/c.output
 %%PORTDOCS%%%%EXAMPLESDIR%%/c/cplus.output
+%%PORTDOCS%%%%EXAMPLESDIR%%/c/c1d2.data
+%%PORTDOCS%%%%EXAMPLESDIR%%/c/c3p1.data
+%%PORTDOCS%%%%EXAMPLESDIR%%/c/c1d2.output
+%%PORTDOCS%%%%EXAMPLESDIR%%/c/c3p1.output
 %%PORTDOCS%%%%EXAMPLESDIR%%/be/be.data
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+%%PORTDOCS%%%%EXAMPLESDIR%%/be/be-1.data
+%%PORTDOCS%%%%EXAMPLESDIR%%/be/be-1.output
 %%PORTDOCS%%%%EXAMPLESDIR%%/bef/bef.data
 %%PORTDOCS%%%%EXAMPLESDIR%%/bef/bef.output
 %%PORTDOCS%%%%EXAMPLESDIR%%/c2/c2.out
@@ -307,6 +66,7 @@ bin/x2dhf
 %%PORTDOCS%%%%EXAMPLESDIR%%/fh/fh-223-150-0-1.output
 %%PORTDOCS%%%%EXAMPLESDIR%%/fh/fh-223-150-m1-1.output
 %%PORTDOCS%%%%EXAMPLESDIR%%/fh/Run_FH
+%%PORTDOCS%%%%EXAMPLESDIR%%/fh/Run_elprop.pl
 %%PORTDOCS%%%%EXAMPLESDIR%%/fh/fh-223-150-m2-1.output
 %%PORTDOCS%%%%EXAMPLESDIR%%/fh/fh-223-150-p1-1.output
 %%PORTDOCS%%%%EXAMPLESDIR%%/fh/fh-223-150-p2-1.output
@@ -318,6 +78,7 @@ bin/x2dhf
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/bf
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/n2
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/th89
+%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/h2+
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/h2
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/c
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/be
@@ -325,7 +86,7 @@ bin/x2dhf
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/c2
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/bo
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/f2
-%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%//gaf
+%%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/gaf
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/li2
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%/fh
 %%PORTDOCS%%@dirrm %%EXAMPLESDIR%%