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Remove science/dft++. Not actively maintained the original site. Old

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style coding with lots of warnings, and build error with gcc44.

Also suggested by: gerald@
This commit is contained in:
Maho Nakata 2009-08-11 05:14:53 +00:00
parent ea91643216
commit 740db18f37
Notes: svn2git 2021-03-31 03:12:20 +00:00 
svn path=/head/; revision=239298
10 changed files with 1 additions and 384 deletions
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1
MOVED
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@ -4138,3 +4138,4 @@ www/zope-guf||2009-08-08|Removed: "no longer being developed: use SimpleUserFold
misc/xenmenu||2009-08-08|Removed: Project abandoned in 1998
security/dns-proxy-tor||2009-08-09|Removed
security/trans-proxy-tor||2009-08-09|Removed: trans-proxy-tor is rendered obsolete by Tor\'s TransPort option (currently only available in tor-devel)
science/dft++||2009-08-11|Removed

1
science/Makefile
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@ -27,7 +27,6 @@
SUBDIR += crf++
SUBDIR += dcl
SUBDIR += devisor
SUBDIR += dft++
SUBDIR += dtiquery
SUBDIR += ecs
SUBDIR += elmer-eio

105
science/dft++/Makefile
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@ -1,105 +0,0 @@
# New ports collection makefile for: dft++
# Date Created: 18 March 2004
# Whom: NAKATA Maho <maho@FreeBSD.org>
#
# $FreeBSD$
#
PORTNAME= dft++
PORTVERSION= 3.0
PORTREVISION= 3
CATEGORIES= science
MASTER_SITES= http://dft.physics.cornell.edu/src/ \
http://dft.physics.cornell.edu/example/:example
DISTFILES= ${PORTNAME}.v${PORTVERSION}.tar.gz
.if !defined(NOPORTDOCS)
DISTFILES+= dft.in:example si_psp.tar:example output:example
.endif
DIST_SUBDIR= dft++
EXTRACT_ONLY= ${PORTNAME}.v${PORTVERSION}.tar.gz
MAINTAINER= maho@FreeBSD.org
COMMENT= DFT++, A density functional software
.include <bsd.port.pre.mk>
LIB_DEPENDS+= fftw.2:${PORTSDIR}/math/fftw
WRKSRC= ${WRKDIR}/${PORTNAME}-${PORTVERSION}
USE_GMAKE= yes
USE_FORTRAN= yes
FORTRANLIBS= -lgfortranbegin -lgfortran
GCCLIBDIR= -L`${CAT} ${WRKSRC}/LIBDIR` -L`${CAT} ${WRKSRC}/LIBDIR`/../../..
.if exists(${LOCALBASE}/lib/libatlas_r.so) && !defined(WITH_BLAS)
WITH_ATLAS= yes
.endif
.if defined(WITH_ATLAS)
LIB_DEPENDS+= atlas.2:${PORTSDIR}/math/atlas
BLAS= -lf77blas -latlas -lcblas
LAPACK= -lalapack
.else
LIB_DEPENDS+= blas.2:${PORTSDIR}/math/blas
LIB_DEPENDS+= lapack.4:${PORTSDIR}/math/lapack
BLAS= -lblas
LAPACK= -llapack
.endif
FFTW= -lfftw
.if defined(WITH_OPTIMIZED_FLAGS)
OPTIMIZED_FLAGS+= -O3 -ffast-math -finline-functions -fomit-frame-pointer -funroll-loops -fexpensive-optimizations -malign-double
.if (${ARCH} == "i386")
OPTIMIZED_FLAGS+= -mcpu=i686 -march=i686 -mfancy-math-387 -mpreferred-stack-boundary=3
.endif # i386
.endif
pre-patch:
${CP} ${WRKSRC}/makefile ${WRKSRC}/makefile-pw
${CP} ${WRKSRC}/makefile ${WRKSRC}/makefile-wl
pre-configure:
@${DIRNAME} `${F77} -print-libgcc-file-name` > ${WRKSRC}/LIBDIR
@${ECHO} "You can optimize by setting WITH_OPTIMIZED_FLAGS=yes."
@${REINPLACE_CMD} -e ' s|%%FC%%|${FC}|g ; \
s|%%CC%%|${CC}|g ; \
s|%%CXX%%|${CXX}|g ; \
s|%%OPTIMIZED_FLAGS%%|${OPTIMIZED_FLAGS}|g ; \
s|%%LAPACK%%|${LAPACK}|g ; \
s|%%BLAS%%|${BLAS}|g ; \
s|%%FFTW%%|${FFTW}|g ; \
s|%%LOCALBASE%%|${LOCALBASE}|g ; \
s|%%FFLAGS%%|${FFLAGS}|g ; \
s|%%CFLAGS%%|${CFLAGS}|g ; \
s|%%FORTRANLIBS%%|${FORTRANLIBS} ${GCCLIBDIR}|g ; \
s|%%CXXFLAGS%%|${CXXFLAGS}|g ;' ${WRKSRC}/makefile.local-pw
@${REINPLACE_CMD} -e ' s|%%FC%%|${FC}|g ; \
s|%%CC%%|${CC}|g ; \
s|%%CXX%%|${CXX}|g ; \
s|%%BLAS%%|${BLAS}|g ; \
s|%%LAPACK%%|${LAPACK}|g ; \
s|%%FFTW%%|${FFTW}|g ; \
s|%%OPTIMIZED_FLAGS%%|${OPTIMIZED_FLAGS}|g ; \
s|%%FFLAGS%%|${FFLAGS}|g ; \
s|%%CFLAGS%%|${CFLAGS}|g ; \
s|%%LOCALBASE%%|${LOCALBASE}|g ; \
s|%%FORTRANLIBS%%|${FORTRANLIBS} ${GCCLIBDIR}|g ; \
s|%%CXXFLAGS%%|${CXXFLAGS}|g ;' ${WRKSRC}/makefile.local-wl
do-build:
@cd ${WRKSRC} ; ${GMAKE} -f makefile-pw dft-pw
@cd ${WRKSRC} ; ${GMAKE} -f makefile-pw clean
@cd ${WRKSRC} ; ${GMAKE} -f makefile-wl dft-wl
do-install:
@${INSTALL_PROGRAM} ${WRKSRC}/dft-pw ${PREFIX}/bin
@${INSTALL_PROGRAM} ${WRKSRC}/dft-wl ${PREFIX}/bin
.if !defined(NOPORTEXAMPLES)
@${MKDIR} ${EXAMPLESDIR}
@${INSTALL_DATA} ${DISTDIR}/${DIST_SUBDIR}/dft.in ${EXAMPLESDIR}
@${INSTALL_DATA} ${DISTDIR}/${DIST_SUBDIR}/output ${EXAMPLESDIR}
@${INSTALL_DATA} ${DISTDIR}/${DIST_SUBDIR}/si_psp.tar ${EXAMPLESDIR}
@${TAR} xf ${DISTDIR}/${DIST_SUBDIR}/si_psp.tar -C ${EXAMPLESDIR}
@${CHOWN} -R ${SHAREOWN}:${SHAREGRP} ${EXAMPLESDIR}
.endif
.include <bsd.port.post.mk>

12
science/dft++/distinfo
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@ -1,12 +0,0 @@
MD5 (dft++/dft++.v3.0.tar.gz) = c8272ef2b9bb955a2c9db8840d08424d
SHA256 (dft++/dft++.v3.0.tar.gz) = 65f673bf78b0e2902eea6ad4ba00c047890438747297dfd1661763f562ee6af1
SIZE (dft++/dft++.v3.0.tar.gz) = 356235
MD5 (dft++/dft.in) = c8547142048315619f05b98d9041636f
SHA256 (dft++/dft.in) = e45b9fc7859f976003223f4c91de15fcdf85e8aa2b3b996c4d25f5f37d754b60
SIZE (dft++/dft.in) = 3203
MD5 (dft++/si_psp.tar) = 9f9c86f4bc4b0e4e1c2b0dd46440c282
SHA256 (dft++/si_psp.tar) = 2f5513cf637c0ac86eb1a1271baff7ab7b92f2fa55ffa9d1085a5263939e7e3f
SIZE (dft++/si_psp.tar) = 102400
MD5 (dft++/output) = a33c69fff62e5be5a61c6acbc5ece822
SHA256 (dft++/output) = 572219db0ddaadd9a42442d524760235257cfc4adf6e24c1011f8dca0111cd2d
SIZE (dft++/output) = 245937

26
science/dft++/files/patch-makefile-pw
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@ -1,26 +0,0 @@
--- makefile-pw~ Sat Mar 20 11:54:12 2004
+++ makefile-pw Sat Mar 20 11:55:09 2004
@@ -95,18 +95,18 @@
# Decide, based on BASIS, which basis to use.
#
# For plane waves...
-#BASISOPT = -DPLANEWAVES
-#BASIS_OBJS = ${PW_OBJS}
+BASISOPT = -DPLANEWAVES
+BASIS_OBJS = ${PW_OBJS}
#
# For wavelets...
-BASISOPT = -DWAVELETS -Dnewgridtype
-BASIS_OBJS = ${WL_OBJS}
+#BASISOPT = -DWAVELETS -Dnewgridtype
+#BASIS_OBJS = ${WL_OBJS}
#
# Include the machine dependent (local) makefile defining compilers,
# Linking options, etc. etc.
#
-include makefile.local
+include makefile.local-pw
#
# Object files used to interface to lapack routines (in plain C and F77)

11
science/dft++/files/patch-makefile-wl
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@ -1,11 +0,0 @@
--- makefile-wl.org Fri May 23 10:49:12 2003
+++ makefile-wl Sat Mar 20 11:51:51 2004
@@ -106,7 +106,7 @@
# Include the machine dependent (local) makefile defining compilers,
# Linking options, etc. etc.
#
-include makefile.local
+include makefile.local-wl
#
# Object files used to interface to lapack routines (in plain C and F77)

99
science/dft++/files/patch-makefile.local-pw
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@ -1,99 +0,0 @@
--- /dev/null Sat Mar 20 00:09:42 2004
+++ makefile.local-pw Sat Mar 20 00:01:36 2004
@@ -0,0 +1,96 @@
+#
+# This makefile is included from 'makefile'. It defines the
+# various machine dependent things such as compiler commands,
+# directories, libraries, etc.
+#
+
+#
+# FFTW directories
+#
+FFTW_DIR = -I%%LOCALBASE%%/include
+FFTW_LIB_DIR = -L%%LOCALBASE%%/lib
+
+#
+# The matrix diagonalization libraries, object, and and compile options
+# (LAPACK, ESSL, or the in-house supplied Jacobi diagonalizer).
+#
+# MATDIAG_OBJ must be either lapackdiagF77.o, essldiagF77.o, or jacobi.o
+# depending on which library you are going to use.
+#
+# MATDIAG_OPTS tells the system which library you will be using (i.e.
+# whether you're linking to lapackdiagF77.o, essldiagF77.o, or jacobi.o).
+# Set it to one of -DDFT_USE_LAPACK, -DDFT_USE_ESSL, or -DDFT_USE_JACOBI
+#
+# MATDIAG_LIB_DIR is the directory where the lapack library lives
+# (needed if the complier can't find it automatically)
+# If using jacobi.o, set it to ".".
+#
+MATDIAG_OBJ = matdiagC.o
+MATDIAG_OPTS = -DDFT_USE_LAPACK
+MATDIAG_LIB_DIR = -L.
+
+#
+# Our libraries: FFTW, math library, and possible LAPACK/BLAS libraries
+#
+LIBS = ${FFTW_LIB_DIR} ${MATDIAG_LIB_DIR} %%LAPACK%% %%BLAS%% %%FFTW%% %%FORTRANLIBS%% -lm
+#
+
+#
+# Optimization options for all compilers
+#
+OPTIM_OPTS = %%OPTIMIZED_FLAGS%%
+
+#
+# Parallelization options: machine dependent ones go here, **PLUS**
+#
+# put -DDFT_THREAD to use POSIX threads (SMP)
+# put -DDFT_MPI to use MPI (DMP)
+# (you can specify both if needed)
+#
+PARALLEL_OPTS =
+
+#
+# Compiler flags for all compilers
+#
+COMPILE_OPTS = -g -I. -Icommands ${FFTW_DIR} \
+ ${OPTIM_OPTS} ${PARALLEL_OPTS} ${MATDIAG_OPTS}
+
+#
+# C++ compiler and options
+#
+CPLUSPLUS = %%CXX%%
+CPLUSPLUSOPTS = ${COMPILE_OPTS}
+
+#
+# C compiler and options
+#
+CC = %%CC%%
+CCOPTS = ${COMPILE_OPTS}
+
+#
+# F77 compiler and options
+#
+F77 = %%FC%%
+F77OPTS = ${COMPILE_OPTS}
+
+#
+# Linker to use
+#
+# Note: on some linux platforms, using ${F77} as the linker works
+# better (then you exclude any -lf2c libraries).
+#
+LINKER = ${CPLUSPLUS}
+
+#
+# Linking options: static/dynamic flags, etc., if any
+#
+LINKOPTS = ${CPLUSPLUSOPTS}
+
+
+
+
+
+
+
+
+

99
science/dft++/files/patch-makefile.local-wl
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@ -1,99 +0,0 @@
--- /dev/null Sat Mar 20 00:09:42 2004
+++ makefile.local-wl Sat Mar 20 00:01:30 2004
@@ -0,0 +1,96 @@
+#
+# This makefile is included from 'makefile'. It defines the
+# various machine dependent things such as compiler commands,
+# directories, libraries, etc.
+#
+
+#
+# FFTW directories
+#
+FFTW_DIR = -I%%LOCALBASE%%/include
+FFTW_LIB_DIR = -L%%LOCALBASE%%/lib
+
+#
+# The matrix diagonalization libraries, object, and and compile options
+# (LAPACK, ESSL, or the in-house supplied Jacobi diagonalizer).
+#
+# MATDIAG_OBJ must be either lapackdiagF77.o, essldiagF77.o, or jacobi.o
+# depending on which library you are going to use.
+#
+# MATDIAG_OPTS tells the system which library you will be using (i.e.
+# whether you're linking to lapackdiagF77.o, essldiagF77.o, or jacobi.o).
+# Set it to one of -DDFT_USE_LAPACK, -DDFT_USE_ESSL, or -DDFT_USE_JACOBI
+#
+# MATDIAG_LIB_DIR is the directory where the lapack library lives
+# (needed if the complier can't find it automatically)
+# If using jacobi.o, set it to ".".
+#
+MATDIAG_OBJ = matdiagC.o
+MATDIAG_OPTS = -DDFT_USE_LAPACK
+MATDIAG_LIB_DIR = -L.
+
+#
+# Our libraries: FFTW, math library, and possible LAPACK/BLAS libraries
+#
+LIBS = ${FFTW_LIB_DIR} ${MATDIAG_LIB_DIR} %%LAPACK%% %%BLAS%% %%FFTW%% %%FORTRANLIBS%% -lm
+#
+
+#
+# Optimization options for all compilers
+#
+OPTIM_OPTS = %%OPTIMIZED_FLAGS%%
+
+#
+# Parallelization options: machine dependent ones go here, **PLUS**
+#
+# put -DDFT_THREAD to use POSIX threads (SMP)
+# put -DDFT_MPI to use MPI (DMP)
+# (you can specify both if needed)
+#
+PARALLEL_OPTS =
+
+#
+# Compiler flags for all compilers
+#
+COMPILE_OPTS = -g -I. -Icommands ${FFTW_DIR} \
+ ${OPTIM_OPTS} ${PARALLEL_OPTS} ${MATDIAG_OPTS}
+
+#
+# C++ compiler and options
+#
+CPLUSPLUS = %%CXX%%
+CPLUSPLUSOPTS = ${COMPILE_OPTS}
+
+#
+# C compiler and options
+#
+CC = %%CC%%
+CCOPTS = ${COMPILE_OPTS}
+
+#
+# F77 compiler and options
+#
+F77 = %%FC%%
+F77OPTS = ${COMPILE_OPTS}
+
+#
+# Linker to use
+#
+# Note: on some linux platforms, using ${F77} as the linker works
+# better (then you exclude any -lf2c libraries).
+#
+LINKER = ${CPLUSPLUS}
+
+#
+# Linking options: static/dynamic flags, etc., if any
+#
+LINKOPTS = ${CPLUSPLUSOPTS}
+
+
+
+
+
+
+
+
+

20
science/dft++/pkg-descr
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@ -1,20 +0,0 @@
DFT++ is a density functional package,
The software is fully cache and register optimized,
and runs in serial, threaded, MPI and mixed threaded-MPI parallel
environments.
For academic users, authors request that publications using results
obtained with this software reference
"New algebraic formulation of density functional calculation,"
by Sohrab Ismail-Beigi and T.A. Arias, Computer Physics Communications
128:1-2, 1-45 (June 2000). and, if using the wavelet basis, further reference
"Multiresolution analysis of electronic structure: semicardinal
and wavelet bases,"
T.A. Arias, Reviews of Modern Physics 71:1, 267-311 (January 1999).
and "Robust ab initio calculation of condensed matter: transparent
convergence through semicardinal multiresolution analysis,'' I.P. Daykov,
T.A. Arias, and Torkel D. Engeness, Physical Review Letters,
90:21, 216402 (May 2003).
documents are available at http://dft.physics.cornell.edu/doc/
WWW: http://dft.physics.cornell.edu/

11
science/dft++/pkg-plist
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@ -1,11 +0,0 @@
bin/dft-pw
bin/dft-wl
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/dft.in
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/output
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/si_psp.tar
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/Si/loc.1002.02
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/Si/nl.d.501.02
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/Si/nl.p.501.02
%%PORTEXAMPLES%%%%EXAMPLESDIR%%/Si/si.pot
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%/Si
%%PORTEXAMPLES%%@dirrm %%EXAMPLESDIR%%