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authorMaho Nakata <maho@FreeBSD.org>2007-01-09 08:54:01 +0000
committerMaho Nakata <maho@FreeBSD.org>2007-01-09 08:54:01 +0000
commit4d3ec3c9cdc7707d39ec823b14753d8463d02387 (patch)
tree8bbe962aae4ffde7017b2b2a72765a43d2585e6e /science/2dhf
parent- Update to 0.3.7 (diff)
* Migrate to gfortran
* Update to 2005.05 version * Change master site
Notes
Notes: svn path=/head/; revision=181846
Diffstat (limited to 'science/2dhf')
-rw-r--r--science/2dhf/Makefile37
-rw-r--r--science/2dhf/distinfo6
-rw-r--r--science/2dhf/files/patch-Makefile39
-rw-r--r--science/2dhf/files/patch-main-dynamic-f90.inc9
-rw-r--r--science/2dhf/files/patch-src+inihf.f10
-rw-r--r--science/2dhf/files/patch-src+setconst.f11
-rw-r--r--science/2dhf/pkg-descr3
-rw-r--r--science/2dhf/pkg-plist269
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/WARNINGS
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-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-img74.png
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-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-img73.png
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-img81.png
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-labels.pl
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-images.pl
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-img111.png
-%%PORTDOCS%%%%DOCSDIR%%/users_guide/users_guide-img23.png
-%%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
%%PORTDOCS%%%%EXAMPLESDIR%%/be/be.output
+%%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%%