* Update to 3.3.0.

* Build fix with
NOPORTDOCS=yes,  NOPORTEXAMPLES=yes, NOPORTDATA=yes, FORCE_PACKAGE=yes [1].

Spotted by: itetcu [1]

science/psi3/Makefile

@@ -6,10 +6,10 @@
 #
 
 PORTNAME=	psi3
-PORTVERSION=	3.2.3
-PORTREVISION=	3
+PORTVERSION=	3.3.0
 CATEGORIES=	science
-MASTER_SITES=	${MASTER_SITE_SOURCEFORGE}
+MASTER_SITES=	${MASTER_SITE_SOURCEFORGE} \
+		http://www.psicode.org/doc/:doc
 MASTER_SITE_SUBDIR=     psicode
 DISTNAME=	psi-${PORTVERSION}
 .if !defined(NOPORTDOCS)
@@ -21,28 +21,35 @@ EXTRACT_ONLY=	${DISTNAME}${EXTRACT_SUFX}
 MAINTAINER=	maho@FreeBSD.org
 COMMENT=	An electronic structure programs for high-accuracy computations
 
-.if exists(${LOCALBASE}/lib/libatlas_r.so) && !defined(WITH_BLAS)
-WITH_ATLAS=	yes
+USE_BLAS?=	reference
+
+.if exists(${LOCALBASE}/lib/libgoto.so)
+USE_BLAS=     gotoblas
+.elif exists(${LOCALBASE}/lib/libatlas_r.so)
+USE_BLAS=     atlas
 .endif
-.if defined(WITH_ATLAS)
-LIB_DEPENDS+=	atlas.2:${PORTSDIR}/math/atlas
-BLAS=		-lf77blas -latlas
-LAPACK=		-lalapack
-.else
+
+. if ${USE_BLAS} == reference
 LIB_DEPENDS+=	blas.2:${PORTSDIR}/math/blas
 LIB_DEPENDS+=	lapack.4:${PORTSDIR}/math/lapack
 BLAS=		-lblas
 LAPACK=		-llapack
+.elif ${USE_BLAS} == gotoblas
+LIB_DEPENDS+=	goto:${PORTSDIR}/math/gotoblas
+LIB_DEPENDS+=	lapack.4:${PORTSDIR}/math/lapack
+BLAS=		-lgotop
+LAPACK=		-lgotop -llapack
+.elif ${USE_BLAS} == atlas
+LIB_DEPENDS+=   atlas:${PORTSDIR}/math/atlas
+BLAS=		-lptf77blas -lptcblas -latlas_r
+LAPACK=		-lalapack_r
 .endif
 
 USE_BZIP2=	yes
 GNU_CONFIGURE=	yes
 USE_GMAKE=	yes
 USE_AUTOTOOLS=	autoconf:261
-WANT_FORTRAN=yes #dummy but future use
-BUILD_DEPENDS+= gfortran42:${PORTSDIR}/lang/gcc42
-FC=		gfortran42
-F77=		gfortran42
+USE_FORTRAN=	yes
 CONFIGURE_ARGS=	--with-cc=${CC} \
 		--with-cxx=${CXX} \
 		--with-fc=${FC} \
@@ -67,15 +74,11 @@ CXXFLAGS+=	-mfancy-math-387
 
 WRKSRC=	${WRKDIR}/${PORTNAME}
 MAN1=	ccenergy.1 cceom.1 cints.1 clag.1 cscf.1 dboc.1 detcas.1 \
-	detcasman.1 detci.1 geom.1 input.1 mocube.1 mp2.1 mp2r12.1 \
+	detcasman.1 detci.1 geom.1 input.1 intder.1 mocube.1 mp2.1 mp2r12.1 \
 	oeprop.1 optking.1 psi3.1 psiclean.1 stable.1 tocprint.1 transqt.1
 pre-configure:
 	@${ECHO} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
-	@${REINPLACE_CMD} -e 's|%%TMPDOC%%|${WRKSRC}/tmpdoc|g ; \
-			      s|%%PTHREAD_LIBS%%|${PTHREAD_LIBS}|g ; \
-			      s|%%FFLAGS%%|${FFLAGS}|g ; \
-			      s|%%CFLAGS%%|${CFLAGS}|g ; \
-			      s|%%CXXFLAGS%%|${CXXFLAGS}|g ;' ${WRKSRC}/configure.in
+	@${REINPLACE_CMD} -e 's|%%TMPDOC%%|${WRKSRC}/tmpdoc|g ' ${WRKSRC}/configure.ac
 	@${REINPLACE_CMD} -e 's|%%PTHREAD_CFLAGS%%|${PTREAD_CFLAGS}|g ; \
 			      s|%%PTHREAD_LIBS%%|${PTHREAD_LIBS}|g'  ${WRKSRC}/src/bin/cints/Makefile.in
 	@${REINPLACE_CMD} -e 's|%%PTHREAD_CFLAGS%%|${PTREAD_CFLAGS}|g ; \
@@ -88,9 +91,9 @@ do-build:
 
 do-install:
 	@(cd ${WRKSRC} ; ${SETENV} ${MAKE_ENV} ${GMAKE} install)
+	@${TAR} cf - -C ${WRKSRC}/tmpdoc/man .  | ${TAR} xf - -C ${PREFIX}/man
 .if !defined(NOPORTDOCS)
 	@${MKDIR} ${PREFIX}/share/doc/psi3
-	@${TAR} cf - -C ${WRKSRC}/tmpdoc/man .  | ${TAR} xf - -C ${PREFIX}/man
 	@${TAR} cf - -C ${WRKSRC}/tmpdoc/html . | ${TAR} xf - -C ${PREFIX}/share/doc/psi3
 	@${TAR} cf - -C ${WRKSRC}/tmpdoc/txt  . | ${TAR} xf - -C ${PREFIX}/share/doc/psi3
 	@${INSTALL_DATA} ${DISTDIR}/${DIST_SUBDIR}/installation.pdf ${DOCSDIR}

science/psi3/distinfo

@@ -1,12 +1,12 @@
-MD5 (psi3/psi-3.2.3.tar.bz2) = ccc3c88360a72b6edf5e30c713ee7668
-SHA256 (psi3/psi-3.2.3.tar.bz2) = 539ce8ccb21cfe7c20884885b0d42051aecabaa51144de137905bc66d0928c6a
-SIZE (psi3/psi-3.2.3.tar.bz2) = 2088918
-MD5 (psi3/installation.pdf) = 8e2609915a1a4abc40f890b209ab281b
-SHA256 (psi3/installation.pdf) = 1ddaf4e70559010d77ba53d4947b759ea5e761ad89591d71f4ca8564e2075a18
-SIZE (psi3/installation.pdf) = 66683
-MD5 (psi3/userman.pdf) = 1bff3c622550e228024046b2d9d100a6
-SHA256 (psi3/userman.pdf) = 1dd4cedfbf607798344b7d6a066d17a962fe2c9c3438fc7920f52f087df3ba96
-SIZE (psi3/userman.pdf) = 233311
-MD5 (psi3/progman.pdf) = a4115d34c73c02d8c99ea0de4749f3e8
-SHA256 (psi3/progman.pdf) = 1801db3c145cb5c8bca5b034df6f7436fb7cc970d64dd81166c8bc7d6067ec4f
-SIZE (psi3/progman.pdf) = 281565
+MD5 (psi3/psi-3.3.0.tar.bz2) = 7d55d33cbf418e5de190bb13203866ce
+SHA256 (psi3/psi-3.3.0.tar.bz2) = be1b1d1cc74b4052b420e78d539345ba34d35de1789bd99e5798da37ff4790eb
+SIZE (psi3/psi-3.3.0.tar.bz2) = 3067319
+MD5 (psi3/installation.pdf) = a6a36fb952dc75eeb626687ad89bb518
+SHA256 (psi3/installation.pdf) = e56e62f9d72a49fd2013f098008b7f8a8fb595d9707f95f9ca68c0cb35e25e0a
+SIZE (psi3/installation.pdf) = 73381
+MD5 (psi3/userman.pdf) = 08f4bf439a7531c2d7f4e27816446987
+SHA256 (psi3/userman.pdf) = 11141488ce3908f1710a8f5f32498d19cbd8fca38067ac30d30cd28a43b33eb4
+SIZE (psi3/userman.pdf) = 274734
+MD5 (psi3/progman.pdf) = 487ada6244287cd02af4ce265d6e6cc7
+SHA256 (psi3/progman.pdf) = 5f328c074915e042a37abc78d76dc0cf5cb265bc0a99e13d5459122dd232be1f
+SIZE (psi3/progman.pdf) = 372371

science/psi3/files/patch-configure.in

@@ -1,23 +0,0 @@
---- configure.in.orig	Thu Jan  1 05:22:57 2004
-+++ configure.in	Fri Mar 19 17:15:40 2004
-@@ -25,7 +25,7 @@
- AC_PREFIX_DEFAULT(/usr/local/psi)
- 
- incdir=$includedir
--docdir='$(prefix)/doc'
-+docdir='%%TMPDOC%%'
- mandir='$(docdir)/man'
- txtdir='$(docdir)/txt'
- htmldir='$(docdir)/html'
-@@ -506,6 +506,11 @@
-     fi
-     ;;
- esac
-+# from ports
-+FOPT="%%FFLAGS%%"
-+COPT="%%CFLAGS%%"
-+CXXOPT="%%CXXFLAGS%%"
-+
- AC_MSG_RESULT([C optimization flags: $COPT])
- AC_MSG_RESULT([C++ optimization flags: $CXXOPT])
-