From cd9876309e41723f6d085e143916bcbb14efebc7 Mon Sep 17 00:00:00 2001 From: will Date: Wed, 7 Jun 2000 17:10:12 +0000 Subject: Fix build for 4.0 and later. Make DESCR shorter. PR: 19092 Submitted by: MAINTAINER --- biology/deft/Makefile | 44 +++++---- biology/deft/files/Makefile.deft | 20 +++- biology/deft/files/patch-aa | 77 +++++++-------- biology/deft/pkg-descr | 6 ++ biology/deft/pkg-plist | 199 ++++++++++++++++++++------------------- 5 files changed, 181 insertions(+), 165 deletions(-) (limited to 'biology') diff --git a/biology/deft/Makefile b/biology/deft/Makefile index 47e5bbb..2a081c7 100644 --- a/biology/deft/Makefile +++ b/biology/deft/Makefile @@ -1,6 +1,6 @@ -# New ports collection makefile for: DeFT -# Date created: 1999-01-11 -# Whom: Ryo MIYAMOTO +# New ports collection makefile for: DeFT +# Date created: 1999-01-11 +# Whom: Ryo MIYAMOTO # # $FreeBSD$ # @@ -16,28 +16,38 @@ MAINTAINER= rmiya@cc.hirosaki-u.ac.jp WRKSRC= ${WRKDIR}/${DISTNAME}/source -post-configure: - ${CP} ${FILESDIR}/Makefile.deft ${WRKSRC}/Makefile +.include -pre-install: - ${RM} -rf ${PREFIX}/share/doc/DeFT - ${MKDIR} ${PREFIX}/share/doc/DeFT -.if !defined(NOPORTDOCS) - ${MKDIR} ${PREFIX}/share/doc/DeFT/examples +.if ${OSVERSION} >= 400005 +# Using g77 is troublesome, then it is better to use f2c/cc. +BUILD_DEPENDS= fc:${PORTSDIR}/lang/f77 .endif +post-configure: + ${CP} ${FILESDIR}/Makefile.deft ${WRKSRC}/Makefile + do-install: ${INSTALL_PROGRAM} ${WRKSRC}/DeFT.exec ${PREFIX}/bin/ ${INSTALL_SCRIPT} ${WRKDIR}/${DISTNAME}/examples/DeFT ${PREFIX}/bin/ - ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/bases ${PREFIX}/share/doc/DeFT/ + ${MKDIR} ${PREFIX}/share/doc/DeFT + ${MKDIR} ${PREFIX}/share/DeFT + ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/bases ${PREFIX}/share/DeFT/ post-install: .if !defined(NOPORTDOCS) - ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/README_Liability ${PREFIX}/share/doc/DeFT/ - ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/input.* ${PREFIX}/share/doc/DeFT/ - ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/install.* ${PREFIX}/share/doc/DeFT/ - ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/examples/* ${PREFIX}/share/doc/DeFT/examples/ - ${RM} -f ${PREFIX}/share/doc/DeFT/examples/DeFT* + ${MKDIR} ${PREFIX}/share/examples/DeFT + ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/README_Liability \ + ${PREFIX}/share/doc/DeFT/ + ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/input.* \ + ${PREFIX}/share/doc/DeFT/ + ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/install.* \ + ${PREFIX}/share/doc/DeFT/ + ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/examples/README \ + ${PREFIX}/share/examples/DeFT + ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/examples/*.dft \ + ${PREFIX}/share/examples/DeFT + ${INSTALL_DATA} ${WRKDIR}/${DISTNAME}/examples/*.out \ + ${PREFIX}/share/examples/DeFT .endif -.include +.include diff --git a/biology/deft/files/Makefile.deft b/biology/deft/files/Makefile.deft index 2567e48..92451c4 100644 --- a/biology/deft/files/Makefile.deft +++ b/biology/deft/files/Makefile.deft @@ -2,10 +2,18 @@ # Makefile for DeFT # TARGET = DeFT.exec -.if ${MACHINE_ARCH} != "i386" -FFLAGS = -O2 -.else -FFLAGS = -O2 -malign-double -Nn802 +FFLAGS += -w +CFLAGS += -w +.if ${MACHINE_ARCH} == "i386" +FFLAGS += -malign-double +CFLAGS += -malign-double +.endif +F2C = f2c +F2CFLAGS += -w -Nn802 +.if ${OSVERSION} >= 400005 +#FC = ftn77 +FC = fc +CFLAGS += -I${PREFIX}/include .endif LFLAGS = SRCS:sh = ls *.f @@ -16,6 +24,10 @@ all: ${TARGET} ${TARGET}: ${OBJS} ${FC} ${LFLAGS} ${OBJS} -o $@ +cdgrxx.o: + ${F2C} ${F2CFLAGS} cdgrxx.f + ${CC} ${CFLAGS} -c cdgrxx.c + clean: rm -f ${OBJS} ${TARGET} diff --git a/biology/deft/files/patch-aa b/biology/deft/files/patch-aa index e498e17..9333419 100644 --- a/biology/deft/files/patch-aa +++ b/biology/deft/files/patch-aa @@ -1,45 +1,32 @@ -*** ../examples/DeFT Fri Aug 28 06:35:41 1998 ---- ../examples/DeFT.new Sun May 9 23:41:43 1999 -*************** -*** 1,10 **** - # -! # here is the shell for running DeFT - # - -! setenv my_directory $HOME/DeFT_2.2/examples -! setenv DeFT_directory $HOME/DeFT_2.2 -! setenv temp_directory /scratch/tmp$$ - - mkdir $temp_directory - cd $temp_directory ---- 1,11 ---- -+ #!/bin/csh -f - # -! # running DeFT - # - -! setenv my_directory $2 -! setenv DeFT_directory /usr/local/share/doc/DeFT -! setenv temp_directory /usr/tmp/tmp$$ - - mkdir $temp_directory - cd $temp_directory -*************** -*** 19,27 **** - - chmod u+w $temp_directory/* - -! cp $DeFT_directory/source/DeFT DeFT -! -! time DeFT < input >& $my_directory/$1.out - - cp new_restart $my_directory/$1.rst - cp espf $my_directory/$1.espf ---- 20,26 ---- - - chmod u+w $temp_directory/* - -! time DeFT.exec < input >& $my_directory/$1.out - - cp new_restart $my_directory/$1.rst - cp espf $my_directory/$1.espf +--- ../examples/DeFT.orig Thu Aug 27 16:35:41 1998 ++++ ../examples/DeFT Wed May 31 18:40:28 2000 +@@ -1,10 +1,14 @@ ++#!/bin/csh -f + # +-# here is the shell for running DeFT ++# running DeFT + # + +-setenv my_directory $HOME/DeFT_2.2/examples +-setenv DeFT_directory $HOME/DeFT_2.2 +-setenv temp_directory /scratch/tmp$$ ++setenv my_directory $2 ++if (null$my_directory == null) then ++ setenv my_directory `echo $PWD` ++endif ++setenv DeFT_directory /usr/local/share/DeFT ++setenv temp_directory /usr/tmp/tmp$$ + + mkdir $temp_directory + cd $temp_directory +@@ -19,9 +23,7 @@ + + chmod u+w $temp_directory/* + +-cp $DeFT_directory/source/DeFT DeFT +- +-time DeFT < input >& $my_directory/$1.out ++time DeFT.exec < input >& $my_directory/$1.out + + cp new_restart $my_directory/$1.rst + cp espf $my_directory/$1.espf diff --git a/biology/deft/pkg-descr b/biology/deft/pkg-descr index b186e8e..7b19566 100644 --- a/biology/deft/pkg-descr +++ b/biology/deft/pkg-descr @@ -5,5 +5,11 @@ Basis sets are prepared for H to Xe. WWW: http://www.chem.uottawa.ca/DeFT.html +Potring to 4.0-CURRENT (__FreeBSD_version == 400005) and later versions +have been assisted greatly by Glenn Johnson , +thanks a lot ! +He found a couple of troublesome in optimization using g77 at FreeBSD 4, +then it is recommended to use f2c/cc. + -- rmiya diff --git a/biology/deft/pkg-plist b/biology/deft/pkg-plist index 35ad781..42df867 100644 --- a/biology/deft/pkg-plist +++ b/biology/deft/pkg-plist @@ -1,109 +1,110 @@ bin/DeFT.exec bin/DeFT share/doc/DeFT/README_Liability -share/doc/DeFT/bases +share/DeFT/bases share/doc/DeFT/input.dvi share/doc/DeFT/input.ps share/doc/DeFT/input.tex share/doc/DeFT/install.dvi share/doc/DeFT/install.ps share/doc/DeFT/install.tex -share/doc/DeFT/examples/1,3-difluorobenzene.dft -share/doc/DeFT/examples/1,3-difluorobenzene.out -share/doc/DeFT/examples/2-hydroxybicyclopentane.dft -share/doc/DeFT/examples/2-hydroxybicyclopentane.out -share/doc/DeFT/examples/README -share/doc/DeFT/examples/acetone.dft -share/doc/DeFT/examples/acetone.out -share/doc/DeFT/examples/acetone_a.dft -share/doc/DeFT/examples/acetone_a.out -share/doc/DeFT/examples/acetone_b.dft -share/doc/DeFT/examples/acetone_b.out -share/doc/DeFT/examples/acetylene.dft -share/doc/DeFT/examples/acetylene.out -share/doc/DeFT/examples/allene.dft -share/doc/DeFT/examples/allene.out -share/doc/DeFT/examples/ammonia.dft -share/doc/DeFT/examples/ammonia.out -share/doc/DeFT/examples/benzaldehyde.dft -share/doc/DeFT/examples/benzaldehyde.out -share/doc/DeFT/examples/benzene.dft -share/doc/DeFT/examples/benzene.out -share/doc/DeFT/examples/bh4-.dft -share/doc/DeFT/examples/bh4-.out -share/doc/DeFT/examples/c_atom.dft -share/doc/DeFT/examples/c_atom.out -share/doc/DeFT/examples/ch2.dft -share/doc/DeFT/examples/ch2.out -share/doc/DeFT/examples/disilyl_ether.dft -share/doc/DeFT/examples/disilyl_ether.out -share/doc/DeFT/examples/ethane.dft -share/doc/DeFT/examples/ethane.out -share/doc/DeFT/examples/ethanol.dft -share/doc/DeFT/examples/ethanol.out -share/doc/DeFT/examples/ethylene_a.dft -share/doc/DeFT/examples/ethylene_a.out -share/doc/DeFT/examples/ethylene_b.dft -share/doc/DeFT/examples/ethylene_b.out -share/doc/DeFT/examples/f_atom.dft -share/doc/DeFT/examples/f_atom.out -share/doc/DeFT/examples/formaldehyde_a.dft -share/doc/DeFT/examples/formaldehyde_a.out -share/doc/DeFT/examples/formaldehyde_b.dft -share/doc/DeFT/examples/formaldehyde_b.out -share/doc/DeFT/examples/furan.dft -share/doc/DeFT/examples/furan.out -share/doc/DeFT/examples/hcn_a.dft -share/doc/DeFT/examples/hcn_a.out -share/doc/DeFT/examples/hcn_b.dft -share/doc/DeFT/examples/hcn_b.out -share/doc/DeFT/examples/hydroxide_a.dft -share/doc/DeFT/examples/hydroxide_a.out -share/doc/DeFT/examples/hydroxide_b.dft -share/doc/DeFT/examples/hydroxide_b.out -share/doc/DeFT/examples/hydroxide_c.dft -share/doc/DeFT/examples/hydroxide_c.out -share/doc/DeFT/examples/hydroxysulphane.dft -share/doc/DeFT/examples/hydroxysulphane.out -share/doc/DeFT/examples/malonaldehyde_a.dft -share/doc/DeFT/examples/malonaldehyde_a.out -share/doc/DeFT/examples/malonaldehyde_b.dft -share/doc/DeFT/examples/malonaldehyde_b.out -share/doc/DeFT/examples/malonaldehyde_c.dft -share/doc/DeFT/examples/malonaldehyde_c.out -share/doc/DeFT/examples/malonaldehyde_d.dft -share/doc/DeFT/examples/malonaldehyde_d.out -share/doc/DeFT/examples/malonaldehyde_e.dft -share/doc/DeFT/examples/malonaldehyde_e.out -share/doc/DeFT/examples/malonaldehyde_f.dft -share/doc/DeFT/examples/malonaldehyde_f.out -share/doc/DeFT/examples/malonaldehyde_g.dft -share/doc/DeFT/examples/malonaldehyde_g.out -share/doc/DeFT/examples/malonaldehyde_h.dft -share/doc/DeFT/examples/malonaldehyde_h.out -share/doc/DeFT/examples/malonaldehyde_i.dft -share/doc/DeFT/examples/malonaldehyde_i.out -share/doc/DeFT/examples/methanol.dft -share/doc/DeFT/examples/methanol.out -share/doc/DeFT/examples/methylamine.dft -share/doc/DeFT/examples/methylamine.out -share/doc/DeFT/examples/neopentane.dft -share/doc/DeFT/examples/neopentane.out -share/doc/DeFT/examples/nh4+.dft -share/doc/DeFT/examples/nh4+.out -share/doc/DeFT/examples/o2.dft -share/doc/DeFT/examples/o2.out -share/doc/DeFT/examples/peroxide_a.dft -share/doc/DeFT/examples/peroxide_a.out -share/doc/DeFT/examples/peroxide_b.dft -share/doc/DeFT/examples/peroxide_b.out -share/doc/DeFT/examples/peroxide_c.dft -share/doc/DeFT/examples/peroxide_c.out -share/doc/DeFT/examples/peroxide_d.dft -share/doc/DeFT/examples/peroxide_d.out -share/doc/DeFT/examples/peroxide_e.dft -share/doc/DeFT/examples/peroxide_e.out -share/doc/DeFT/examples/water.dft -share/doc/DeFT/examples/water.out -@dirrm share/doc/DeFT/examples +share/examples/DeFT/1,3-difluorobenzene.dft +share/examples/DeFT/1,3-difluorobenzene.out +share/examples/DeFT/2-hydroxybicyclopentane.dft +share/examples/DeFT/2-hydroxybicyclopentane.out +share/examples/DeFT/README +share/examples/DeFT/acetone.dft +share/examples/DeFT/acetone.out +share/examples/DeFT/acetone_a.dft +share/examples/DeFT/acetone_a.out +share/examples/DeFT/acetone_b.dft +share/examples/DeFT/acetone_b.out +share/examples/DeFT/acetylene.dft +share/examples/DeFT/acetylene.out +share/examples/DeFT/allene.dft +share/examples/DeFT/allene.out +share/examples/DeFT/ammonia.dft +share/examples/DeFT/ammonia.out +share/examples/DeFT/benzaldehyde.dft +share/examples/DeFT/benzaldehyde.out +share/examples/DeFT/benzene.dft +share/examples/DeFT/benzene.out +share/examples/DeFT/bh4-.dft +share/examples/DeFT/bh4-.out +share/examples/DeFT/c_atom.dft +share/examples/DeFT/c_atom.out +share/examples/DeFT/ch2.dft +share/examples/DeFT/ch2.out +share/examples/DeFT/disilyl_ether.dft +share/examples/DeFT/disilyl_ether.out +share/examples/DeFT/ethane.dft +share/examples/DeFT/ethane.out +share/examples/DeFT/ethanol.dft +share/examples/DeFT/ethanol.out +share/examples/DeFT/ethylene_a.dft +share/examples/DeFT/ethylene_a.out +share/examples/DeFT/ethylene_b.dft +share/examples/DeFT/ethylene_b.out +share/examples/DeFT/f_atom.dft +share/examples/DeFT/f_atom.out +share/examples/DeFT/formaldehyde_a.dft +share/examples/DeFT/formaldehyde_a.out +share/examples/DeFT/formaldehyde_b.dft +share/examples/DeFT/formaldehyde_b.out +share/examples/DeFT/furan.dft +share/examples/DeFT/furan.out +share/examples/DeFT/hcn_a.dft +share/examples/DeFT/hcn_a.out +share/examples/DeFT/hcn_b.dft +share/examples/DeFT/hcn_b.out +share/examples/DeFT/hydroxide_a.dft +share/examples/DeFT/hydroxide_a.out +share/examples/DeFT/hydroxide_b.dft +share/examples/DeFT/hydroxide_b.out +share/examples/DeFT/hydroxide_c.dft +share/examples/DeFT/hydroxide_c.out +share/examples/DeFT/hydroxysulphane.dft +share/examples/DeFT/hydroxysulphane.out +share/examples/DeFT/malonaldehyde_a.dft +share/examples/DeFT/malonaldehyde_a.out +share/examples/DeFT/malonaldehyde_b.dft +share/examples/DeFT/malonaldehyde_b.out +share/examples/DeFT/malonaldehyde_c.dft +share/examples/DeFT/malonaldehyde_c.out +share/examples/DeFT/malonaldehyde_d.dft +share/examples/DeFT/malonaldehyde_d.out +share/examples/DeFT/malonaldehyde_e.dft +share/examples/DeFT/malonaldehyde_e.out +share/examples/DeFT/malonaldehyde_f.dft +share/examples/DeFT/malonaldehyde_f.out +share/examples/DeFT/malonaldehyde_g.dft +share/examples/DeFT/malonaldehyde_g.out +share/examples/DeFT/malonaldehyde_h.dft +share/examples/DeFT/malonaldehyde_h.out +share/examples/DeFT/malonaldehyde_i.dft +share/examples/DeFT/malonaldehyde_i.out +share/examples/DeFT/methanol.dft +share/examples/DeFT/methanol.out +share/examples/DeFT/methylamine.dft +share/examples/DeFT/methylamine.out +share/examples/DeFT/neopentane.dft +share/examples/DeFT/neopentane.out +share/examples/DeFT/nh4+.dft +share/examples/DeFT/nh4+.out +share/examples/DeFT/o2.dft +share/examples/DeFT/o2.out +share/examples/DeFT/peroxide_a.dft +share/examples/DeFT/peroxide_a.out +share/examples/DeFT/peroxide_b.dft +share/examples/DeFT/peroxide_b.out +share/examples/DeFT/peroxide_c.dft +share/examples/DeFT/peroxide_c.out +share/examples/DeFT/peroxide_d.dft +share/examples/DeFT/peroxide_d.out +share/examples/DeFT/peroxide_e.dft +share/examples/DeFT/peroxide_e.out +share/examples/DeFT/water.dft +share/examples/DeFT/water.out @dirrm share/doc/DeFT +@dirrm share/examples/DeFT +@dirrm share/DeFT -- cgit v1.1