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Remove dupplicate port.

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Pointy hat:	yuri
This commit is contained in:
Mathieu Arnold
2019-06-28 06:57:09 +00:00
parent 530f2757e5
commit 08bc95f4c0
7 changed files with 0 additions and 993 deletions
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1
science/Makefile
View File

@@ -154,7 +154,6 @@
SUBDIR += mmdb2
SUBDIR += mmtf-cpp
SUBDIR += mol2ps
SUBDIR += molden
SUBDIR += molgif
SUBDIR += molscript
SUBDIR += molsketch

49
science/molden/Makefile
View File

@@ -1,49 +0,0 @@
# $FreeBSD$
PORTNAME= molden
DISTVERSION= 6.1
CATEGORIES= science
MASTER_SITES= ftp://ftp.cmbi.umcn.nl/pub/molgraph/molden/
DISTNAME= ${PORTNAME}${DISTVERSION}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Program for molecular and electronic structure visualization
LICENSE= Molden
LICENSE_NAME= Molden License
LICENSE_FILE= ${WRKSRC}/CopyRight
LICENSE_PERMS= auto-accept dist-mirror pkg-mirror
BUILD_DEPENDS= makedepend:devel/makedepend
USES= fortran gl gmake localbase
USE_GL= gl glu
USE_XORG= x11 xmu
MAKEFILE= makefile
MAKE_ARGS= CFLAGS="${CFLAGS}" FFLAGS="${FFLAGS}"
CFLAGS+= -DFREEBSD -DHASTIMER
FFLAGS+= -DFREEBSD
EXES= molden gmolden ambfor/ambfor ambfor/ambmd surf/surf
PLIST_FILES= ${EXES:C/.*\///:S/^/bin\//}
OPTIONS_DEFINE= DOCS
PORTDOCS= *
RESTRICTED= No commercial use
do-install:
.for e in ${EXES}
${INSTALL_PROGRAM} ${WRKSRC}/${e} ${STAGEDIR}${PREFIX}/bin
.endfor
do-install-DOCS-on:
${MKDIR} ${STAGEDIR}${DOCSDIR}
.for d in figures.ps.Z manual.ps.Z manual.txt.Z
${INSTALL_DATA} ${WRKSRC}/doc/${d} ${STAGEDIR}${DOCSDIR}
.endfor
.include <bsd.port.mk>

3
science/molden/distinfo
View File

@@ -1,3 +0,0 @@
TIMESTAMP = 1561690466
SHA256 (molden6.1.tar.gz) = ba228b863e8f405a9f6c9f6c502e50462a570daeff74661fb317338fcc6d7fb0
SIZE (molden6.1.tar.gz) = 6263424

18
science/molden/files/patch-makefile
View File

@@ -1,18 +0,0 @@
--- makefile.orig 2019-06-28 03:02:40 UTC
+++ makefile
@@ -96,13 +96,13 @@ ifneq ($(comgcc), $(empty))
EXTRAZ = -Wno-implicit-function-declaration
EXT = ${EXTRAZ}
endif
-FFLAGS = -g ${AFLAG}
+FFLAGS += -g ${AFLAG}
LIBS = -L/usr/X11R6/lib -lX11 -lm
ifeq ($(AFLAG),"-m64")
LIBS = -L/usr/X11R6/lib64 -lX11 -lm
endif
LDR = ${FC} -g ${AFLAG}
-CFLAGS = ${AFLAG} ${EXTRAZ} -c -g -I/usr/X11R6/include -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
+CFLAGS += ${AFLAG} ${EXTRAZ} -c -g -I/usr/X11R6/include -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
ifeq ($(os), Debian)
CFLAGS = ${AFLAG} ${EXTRAZ} -c -I/usr/include/X11 -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
LIBS = -L/usr/lib/X11 -lX11 -lm

888
science/molden/files/patch-surf_Makefile
View File

@@ -1,888 +0,0 @@
--- surf/Makefile.orig 2015-05-02 19:48:48 UTC
+++ surf/Makefile
@@ -53,12 +53,12 @@ DEPEND = $(SRCS)
depend: $(DEPEND)
@ echo making dependencies...
@ echo ' ' > makedep
- @ makedepend $(INCLUDE) -f makedep $(DEPEND)
+ @ $(CC) $(INCLUDE) -M $(SRCS) > makedep
@ echo '/^# DO NOT DELETE THIS LINE/+2,$$d' >eddep
@ echo '$$r makedep' >>eddep
@ echo 'w' >>eddep
@ cp Makefile Makefile.bak
- @ ex - Makefile < eddep
+ #@ ex - Makefile < eddep
@ rm eddep makedep
@ echo ' ' >> Makefile
@ echo '# DEPENDENCIES MUST END AT END OF FILE' >> Makefile
@@ -69,672 +69,204 @@ depend: $(DEPEND)
# DO NOT DELETE THIS LINE -- make depend depends on it.
-
-# DO NOT DELETE
-
-surf.o: surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h
-surf.o: /usr/include/sys/_symbol_aliasing.h
-surf.o: /usr/include/sys/_posix_availability.h /usr/include/Availability.h
-surf.o: /usr/include/AvailabilityInternal.h /usr/include/_types.h
-surf.o: /usr/include/sys/_types.h /usr/include/machine/_types.h
-surf.o: /usr/include/i386/_types.h /usr/include/sys/_pthread/_pthread_types.h
-surf.o: /usr/include/sys/_types/_va_list.h /usr/include/sys/_types/_size_t.h
-surf.o: /usr/include/sys/_types/_null.h /usr/include/sys/stdio.h
-surf.o: /usr/include/sys/_types/_off_t.h /usr/include/sys/_types/_ssize_t.h
-surf.o: /usr/include/secure/_stdio.h /usr/include/secure/_common.h
-surf.o: /usr/include/math.h /usr/include/stdlib.h /usr/include/sys/wait.h
-surf.o: /usr/include/sys/_types/_pid_t.h /usr/include/sys/_types/_id_t.h
-surf.o: /usr/include/sys/signal.h /usr/include/sys/appleapiopts.h
-surf.o: /usr/include/machine/signal.h /usr/include/i386/signal.h
-surf.o: /usr/include/machine/_mcontext.h /usr/include/i386/_mcontext.h
-surf.o: /usr/include/mach/i386/_structs.h
-surf.o: /usr/include/sys/_pthread/_pthread_attr_t.h
-surf.o: /usr/include/sys/_types/_sigaltstack.h
-surf.o: /usr/include/sys/_types/_ucontext.h
-surf.o: /usr/include/sys/_types/_sigset_t.h /usr/include/sys/_types/_uid_t.h
-surf.o: /usr/include/sys/resource.h /usr/include/stdint.h
-surf.o: /usr/include/sys/_types/_int8_t.h /usr/include/sys/_types/_int16_t.h
-surf.o: /usr/include/sys/_types/_int32_t.h /usr/include/sys/_types/_int64_t.h
-surf.o: /usr/include/_types/_uint8_t.h /usr/include/_types/_uint16_t.h
-surf.o: /usr/include/_types/_uint32_t.h /usr/include/_types/_uint64_t.h
-surf.o: /usr/include/sys/_types/_intptr_t.h
-surf.o: /usr/include/sys/_types/_uintptr_t.h /usr/include/_types/_intmax_t.h
-surf.o: /usr/include/_types/_uintmax_t.h /usr/include/sys/_types/_timeval.h
-surf.o: /usr/include/machine/endian.h /usr/include/i386/endian.h
-surf.o: /usr/include/sys/_endian.h /usr/include/libkern/_OSByteOrder.h
-surf.o: /usr/include/libkern/i386/_OSByteOrder.h /usr/include/alloca.h
-surf.o: /usr/include/sys/_types/_ct_rune_t.h
-surf.o: /usr/include/sys/_types/_rune_t.h /usr/include/sys/_types/_wchar_t.h
-surf.o: /usr/include/machine/types.h /usr/include/i386/types.h
-surf.o: /usr/include/sys/_types/_dev_t.h /usr/include/sys/_types/_mode_t.h
-surf.o: /usr/include/string.h /usr/include/sys/_types/_rsize_t.h
-surf.o: /usr/include/sys/_types/_errno_t.h /usr/include/strings.h
-surf.o: /usr/include/secure/_string.h /usr/include/sys/time.h
-surf.o: /usr/include/sys/_types/_fd_def.h /usr/include/sys/_types/_timespec.h
-surf.o: /usr/include/sys/_types/_time_t.h
-surf.o: /usr/include/sys/_types/_suseconds_t.h
-surf.o: /usr/include/sys/_types/_fd_setsize.h
-surf.o: /usr/include/sys/_types/_fd_set.h /usr/include/sys/_types/_fd_clr.h
-surf.o: /usr/include/sys/_types/_fd_isset.h
-surf.o: /usr/include/sys/_types/_fd_zero.h /usr/include/sys/_types/_fd_copy.h
-surf.o: /usr/include/time.h /usr/include/sys/_types/_clock_t.h
-surf.o: /usr/include/sys/_select.h linalg.h
-io.o: surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h
-io.o: /usr/include/sys/_symbol_aliasing.h
-io.o: /usr/include/sys/_posix_availability.h /usr/include/Availability.h
-io.o: /usr/include/AvailabilityInternal.h /usr/include/_types.h
-io.o: /usr/include/sys/_types.h /usr/include/machine/_types.h
-io.o: /usr/include/i386/_types.h /usr/include/sys/_pthread/_pthread_types.h
-io.o: /usr/include/sys/_types/_va_list.h /usr/include/sys/_types/_size_t.h
-io.o: /usr/include/sys/_types/_null.h /usr/include/sys/stdio.h
-io.o: /usr/include/sys/_types/_off_t.h /usr/include/sys/_types/_ssize_t.h
-io.o: /usr/include/secure/_stdio.h /usr/include/secure/_common.h
-io.o: /usr/include/math.h /usr/include/stdlib.h /usr/include/sys/wait.h
-io.o: /usr/include/sys/_types/_pid_t.h /usr/include/sys/_types/_id_t.h
-io.o: /usr/include/sys/signal.h /usr/include/sys/appleapiopts.h
-io.o: /usr/include/machine/signal.h /usr/include/i386/signal.h
-io.o: /usr/include/machine/_mcontext.h /usr/include/i386/_mcontext.h
-io.o: /usr/include/mach/i386/_structs.h
-io.o: /usr/include/sys/_pthread/_pthread_attr_t.h
-io.o: /usr/include/sys/_types/_sigaltstack.h
-io.o: /usr/include/sys/_types/_ucontext.h /usr/include/sys/_types/_sigset_t.h
-io.o: /usr/include/sys/_types/_uid_t.h /usr/include/sys/resource.h
-io.o: /usr/include/stdint.h /usr/include/sys/_types/_int8_t.h
-io.o: /usr/include/sys/_types/_int16_t.h /usr/include/sys/_types/_int32_t.h
-io.o: /usr/include/sys/_types/_int64_t.h /usr/include/_types/_uint8_t.h
-io.o: /usr/include/_types/_uint16_t.h /usr/include/_types/_uint32_t.h
-io.o: /usr/include/_types/_uint64_t.h /usr/include/sys/_types/_intptr_t.h
-io.o: /usr/include/sys/_types/_uintptr_t.h /usr/include/_types/_intmax_t.h
-io.o: /usr/include/_types/_uintmax_t.h /usr/include/sys/_types/_timeval.h
-io.o: /usr/include/machine/endian.h /usr/include/i386/endian.h
-io.o: /usr/include/sys/_endian.h /usr/include/libkern/_OSByteOrder.h
-io.o: /usr/include/libkern/i386/_OSByteOrder.h /usr/include/alloca.h
-io.o: /usr/include/sys/_types/_ct_rune_t.h /usr/include/sys/_types/_rune_t.h
-io.o: /usr/include/sys/_types/_wchar_t.h /usr/include/machine/types.h
-io.o: /usr/include/i386/types.h /usr/include/sys/_types/_dev_t.h
-io.o: /usr/include/sys/_types/_mode_t.h /usr/include/string.h
-io.o: /usr/include/sys/_types/_rsize_t.h /usr/include/sys/_types/_errno_t.h
-io.o: /usr/include/strings.h /usr/include/secure/_string.h
-io.o: /usr/include/sys/time.h /usr/include/sys/_types/_fd_def.h
-io.o: /usr/include/sys/_types/_timespec.h /usr/include/sys/_types/_time_t.h
-io.o: /usr/include/sys/_types/_suseconds_t.h
-io.o: /usr/include/sys/_types/_fd_setsize.h /usr/include/sys/_types/_fd_set.h
-io.o: /usr/include/sys/_types/_fd_clr.h /usr/include/sys/_types/_fd_isset.h
-io.o: /usr/include/sys/_types/_fd_zero.h /usr/include/sys/_types/_fd_copy.h
-io.o: /usr/include/time.h /usr/include/sys/_types/_clock_t.h
-io.o: /usr/include/sys/_select.h linalg.h
-compute.o: surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h
-compute.o: /usr/include/sys/_symbol_aliasing.h
-compute.o: /usr/include/sys/_posix_availability.h /usr/include/Availability.h
-compute.o: /usr/include/AvailabilityInternal.h /usr/include/_types.h
-compute.o: /usr/include/sys/_types.h /usr/include/machine/_types.h
-compute.o: /usr/include/i386/_types.h
-compute.o: /usr/include/sys/_pthread/_pthread_types.h
-compute.o: /usr/include/sys/_types/_va_list.h
-compute.o: /usr/include/sys/_types/_size_t.h /usr/include/sys/_types/_null.h
-compute.o: /usr/include/sys/stdio.h /usr/include/sys/_types/_off_t.h
-compute.o: /usr/include/sys/_types/_ssize_t.h /usr/include/secure/_stdio.h
-compute.o: /usr/include/secure/_common.h /usr/include/math.h
-compute.o: /usr/include/stdlib.h /usr/include/sys/wait.h
-compute.o: /usr/include/sys/_types/_pid_t.h /usr/include/sys/_types/_id_t.h
-compute.o: /usr/include/sys/signal.h /usr/include/sys/appleapiopts.h
-compute.o: /usr/include/machine/signal.h /usr/include/i386/signal.h
-compute.o: /usr/include/machine/_mcontext.h /usr/include/i386/_mcontext.h
-compute.o: /usr/include/mach/i386/_structs.h
-compute.o: /usr/include/sys/_pthread/_pthread_attr_t.h
-compute.o: /usr/include/sys/_types/_sigaltstack.h
-compute.o: /usr/include/sys/_types/_ucontext.h
-compute.o: /usr/include/sys/_types/_sigset_t.h
-compute.o: /usr/include/sys/_types/_uid_t.h /usr/include/sys/resource.h
-compute.o: /usr/include/stdint.h /usr/include/sys/_types/_int8_t.h
-compute.o: /usr/include/sys/_types/_int16_t.h
-compute.o: /usr/include/sys/_types/_int32_t.h
-compute.o: /usr/include/sys/_types/_int64_t.h /usr/include/_types/_uint8_t.h
-compute.o: /usr/include/_types/_uint16_t.h /usr/include/_types/_uint32_t.h
-compute.o: /usr/include/_types/_uint64_t.h
-compute.o: /usr/include/sys/_types/_intptr_t.h
-compute.o: /usr/include/sys/_types/_uintptr_t.h
-compute.o: /usr/include/_types/_intmax_t.h /usr/include/_types/_uintmax_t.h
-compute.o: /usr/include/sys/_types/_timeval.h /usr/include/machine/endian.h
-compute.o: /usr/include/i386/endian.h /usr/include/sys/_endian.h
-compute.o: /usr/include/libkern/_OSByteOrder.h
-compute.o: /usr/include/libkern/i386/_OSByteOrder.h /usr/include/alloca.h
-compute.o: /usr/include/sys/_types/_ct_rune_t.h
-compute.o: /usr/include/sys/_types/_rune_t.h
-compute.o: /usr/include/sys/_types/_wchar_t.h /usr/include/machine/types.h
-compute.o: /usr/include/i386/types.h /usr/include/sys/_types/_dev_t.h
-compute.o: /usr/include/sys/_types/_mode_t.h /usr/include/string.h
-compute.o: /usr/include/sys/_types/_rsize_t.h
-compute.o: /usr/include/sys/_types/_errno_t.h /usr/include/strings.h
-compute.o: /usr/include/secure/_string.h /usr/include/sys/time.h
-compute.o: /usr/include/sys/_types/_fd_def.h
-compute.o: /usr/include/sys/_types/_timespec.h
-compute.o: /usr/include/sys/_types/_time_t.h
-compute.o: /usr/include/sys/_types/_suseconds_t.h
-compute.o: /usr/include/sys/_types/_fd_setsize.h
-compute.o: /usr/include/sys/_types/_fd_set.h
-compute.o: /usr/include/sys/_types/_fd_clr.h
-compute.o: /usr/include/sys/_types/_fd_isset.h
-compute.o: /usr/include/sys/_types/_fd_zero.h
-compute.o: /usr/include/sys/_types/_fd_copy.h /usr/include/time.h
-compute.o: /usr/include/sys/_types/_clock_t.h /usr/include/sys/_select.h
-compute.o: linalg.h chull.h dual.h
-dual.o: surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h
-dual.o: /usr/include/sys/_symbol_aliasing.h
-dual.o: /usr/include/sys/_posix_availability.h /usr/include/Availability.h
-dual.o: /usr/include/AvailabilityInternal.h /usr/include/_types.h
-dual.o: /usr/include/sys/_types.h /usr/include/machine/_types.h
-dual.o: /usr/include/i386/_types.h /usr/include/sys/_pthread/_pthread_types.h
-dual.o: /usr/include/sys/_types/_va_list.h /usr/include/sys/_types/_size_t.h
-dual.o: /usr/include/sys/_types/_null.h /usr/include/sys/stdio.h
-dual.o: /usr/include/sys/_types/_off_t.h /usr/include/sys/_types/_ssize_t.h
-dual.o: /usr/include/secure/_stdio.h /usr/include/secure/_common.h
-dual.o: /usr/include/math.h /usr/include/stdlib.h /usr/include/sys/wait.h
-dual.o: /usr/include/sys/_types/_pid_t.h /usr/include/sys/_types/_id_t.h
-dual.o: /usr/include/sys/signal.h /usr/include/sys/appleapiopts.h
-dual.o: /usr/include/machine/signal.h /usr/include/i386/signal.h
-dual.o: /usr/include/machine/_mcontext.h /usr/include/i386/_mcontext.h
-dual.o: /usr/include/mach/i386/_structs.h
-dual.o: /usr/include/sys/_pthread/_pthread_attr_t.h
-dual.o: /usr/include/sys/_types/_sigaltstack.h
-dual.o: /usr/include/sys/_types/_ucontext.h
-dual.o: /usr/include/sys/_types/_sigset_t.h /usr/include/sys/_types/_uid_t.h
-dual.o: /usr/include/sys/resource.h /usr/include/stdint.h
-dual.o: /usr/include/sys/_types/_int8_t.h /usr/include/sys/_types/_int16_t.h
-dual.o: /usr/include/sys/_types/_int32_t.h /usr/include/sys/_types/_int64_t.h
-dual.o: /usr/include/_types/_uint8_t.h /usr/include/_types/_uint16_t.h
-dual.o: /usr/include/_types/_uint32_t.h /usr/include/_types/_uint64_t.h
-dual.o: /usr/include/sys/_types/_intptr_t.h
-dual.o: /usr/include/sys/_types/_uintptr_t.h /usr/include/_types/_intmax_t.h
-dual.o: /usr/include/_types/_uintmax_t.h /usr/include/sys/_types/_timeval.h
-dual.o: /usr/include/machine/endian.h /usr/include/i386/endian.h
-dual.o: /usr/include/sys/_endian.h /usr/include/libkern/_OSByteOrder.h
-dual.o: /usr/include/libkern/i386/_OSByteOrder.h /usr/include/alloca.h
-dual.o: /usr/include/sys/_types/_ct_rune_t.h
-dual.o: /usr/include/sys/_types/_rune_t.h /usr/include/sys/_types/_wchar_t.h
-dual.o: /usr/include/machine/types.h /usr/include/i386/types.h
-dual.o: /usr/include/sys/_types/_dev_t.h /usr/include/sys/_types/_mode_t.h
-dual.o: /usr/include/string.h /usr/include/sys/_types/_rsize_t.h
-dual.o: /usr/include/sys/_types/_errno_t.h /usr/include/strings.h
-dual.o: /usr/include/secure/_string.h /usr/include/sys/time.h
-dual.o: /usr/include/sys/_types/_fd_def.h /usr/include/sys/_types/_timespec.h
-dual.o: /usr/include/sys/_types/_time_t.h
-dual.o: /usr/include/sys/_types/_suseconds_t.h
-dual.o: /usr/include/sys/_types/_fd_setsize.h
-dual.o: /usr/include/sys/_types/_fd_set.h /usr/include/sys/_types/_fd_clr.h
-dual.o: /usr/include/sys/_types/_fd_isset.h
-dual.o: /usr/include/sys/_types/_fd_zero.h /usr/include/sys/_types/_fd_copy.h
-dual.o: /usr/include/time.h /usr/include/sys/_types/_clock_t.h
-dual.o: /usr/include/sys/_select.h linalg.h dual.h chull.h
-utils.o: surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h
-utils.o: /usr/include/sys/_symbol_aliasing.h
-utils.o: /usr/include/sys/_posix_availability.h /usr/include/Availability.h
-utils.o: /usr/include/AvailabilityInternal.h /usr/include/_types.h
-utils.o: /usr/include/sys/_types.h /usr/include/machine/_types.h
-utils.o: /usr/include/i386/_types.h
-utils.o: /usr/include/sys/_pthread/_pthread_types.h
-utils.o: /usr/include/sys/_types/_va_list.h /usr/include/sys/_types/_size_t.h
-utils.o: /usr/include/sys/_types/_null.h /usr/include/sys/stdio.h
-utils.o: /usr/include/sys/_types/_off_t.h /usr/include/sys/_types/_ssize_t.h
-utils.o: /usr/include/secure/_stdio.h /usr/include/secure/_common.h
-utils.o: /usr/include/math.h /usr/include/stdlib.h /usr/include/sys/wait.h
-utils.o: /usr/include/sys/_types/_pid_t.h /usr/include/sys/_types/_id_t.h
-utils.o: /usr/include/sys/signal.h /usr/include/sys/appleapiopts.h
-utils.o: /usr/include/machine/signal.h /usr/include/i386/signal.h
-utils.o: /usr/include/machine/_mcontext.h /usr/include/i386/_mcontext.h
-utils.o: /usr/include/mach/i386/_structs.h
-utils.o: /usr/include/sys/_pthread/_pthread_attr_t.h
-utils.o: /usr/include/sys/_types/_sigaltstack.h
-utils.o: /usr/include/sys/_types/_ucontext.h
-utils.o: /usr/include/sys/_types/_sigset_t.h /usr/include/sys/_types/_uid_t.h
-utils.o: /usr/include/sys/resource.h /usr/include/stdint.h
-utils.o: /usr/include/sys/_types/_int8_t.h /usr/include/sys/_types/_int16_t.h
-utils.o: /usr/include/sys/_types/_int32_t.h
-utils.o: /usr/include/sys/_types/_int64_t.h /usr/include/_types/_uint8_t.h
-utils.o: /usr/include/_types/_uint16_t.h /usr/include/_types/_uint32_t.h
-utils.o: /usr/include/_types/_uint64_t.h /usr/include/sys/_types/_intptr_t.h
-utils.o: /usr/include/sys/_types/_uintptr_t.h /usr/include/_types/_intmax_t.h
-utils.o: /usr/include/_types/_uintmax_t.h /usr/include/sys/_types/_timeval.h
-utils.o: /usr/include/machine/endian.h /usr/include/i386/endian.h
-utils.o: /usr/include/sys/_endian.h /usr/include/libkern/_OSByteOrder.h
-utils.o: /usr/include/libkern/i386/_OSByteOrder.h /usr/include/alloca.h
-utils.o: /usr/include/sys/_types/_ct_rune_t.h
-utils.o: /usr/include/sys/_types/_rune_t.h /usr/include/sys/_types/_wchar_t.h
-utils.o: /usr/include/machine/types.h /usr/include/i386/types.h
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-tessel_torus.o: /usr/include/sys/_types/_clock_t.h /usr/include/sys/_select.h
-tessel_torus.o: linalg.h
+surf.o: surf.c surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h \
+ /usr/include/sys/_null.h /usr/include/sys/_types.h \
+ /usr/include/machine/_types.h /usr/include/x86/_types.h \
+ /usr/include/machine/_limits.h /usr/include/x86/_limits.h \
+ /usr/include/math.h /usr/include/stdlib.h /usr/include/string.h \
+ /usr/include/strings.h /usr/include/xlocale/_strings.h \
+ /usr/include/xlocale/_string.h /usr/include/sys/time.h \
+ /usr/include/sys/_timeval.h /usr/include/sys/types.h \
+ /usr/include/machine/endian.h /usr/include/x86/endian.h \
+ /usr/include/sys/_pthreadtypes.h /usr/include/sys/_stdint.h \
+ /usr/include/sys/select.h /usr/include/sys/_sigset.h \
+ /usr/include/sys/timespec.h /usr/include/sys/_timespec.h \
+ /usr/include/time.h /usr/include/xlocale/_time.h linalg.h
+io.o: io.c surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h \
+ /usr/include/sys/_null.h /usr/include/sys/_types.h \
+ /usr/include/machine/_types.h /usr/include/x86/_types.h \
+ /usr/include/machine/_limits.h /usr/include/x86/_limits.h \
+ /usr/include/math.h /usr/include/stdlib.h /usr/include/string.h \
+ /usr/include/strings.h /usr/include/xlocale/_strings.h \
+ /usr/include/xlocale/_string.h /usr/include/sys/time.h \
+ /usr/include/sys/_timeval.h /usr/include/sys/types.h \
+ /usr/include/machine/endian.h /usr/include/x86/endian.h \
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+ /usr/include/sys/select.h /usr/include/sys/_sigset.h \
+ /usr/include/sys/timespec.h /usr/include/sys/_timespec.h \
+ /usr/include/time.h /usr/include/xlocale/_time.h linalg.h
+compute.o: compute.c surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h \
+ /usr/include/sys/_null.h /usr/include/sys/_types.h \
+ /usr/include/machine/_types.h /usr/include/x86/_types.h \
+ /usr/include/machine/_limits.h /usr/include/x86/_limits.h \
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+ /usr/include/strings.h /usr/include/xlocale/_strings.h \
+ /usr/include/xlocale/_string.h /usr/include/sys/time.h \
+ /usr/include/sys/_timeval.h /usr/include/sys/types.h \
+ /usr/include/machine/endian.h /usr/include/x86/endian.h \
+ /usr/include/sys/_pthreadtypes.h /usr/include/sys/_stdint.h \
+ /usr/include/sys/select.h /usr/include/sys/_sigset.h \
+ /usr/include/sys/timespec.h /usr/include/sys/_timespec.h \
+ /usr/include/time.h /usr/include/xlocale/_time.h linalg.h chull.h \
+ dual.h
+dual.o: dual.c surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h \
+ /usr/include/sys/_null.h /usr/include/sys/_types.h \
+ /usr/include/machine/_types.h /usr/include/x86/_types.h \
+ /usr/include/machine/_limits.h /usr/include/x86/_limits.h \
+ /usr/include/math.h /usr/include/stdlib.h /usr/include/string.h \
+ /usr/include/strings.h /usr/include/xlocale/_strings.h \
+ /usr/include/xlocale/_string.h /usr/include/sys/time.h \
+ /usr/include/sys/_timeval.h /usr/include/sys/types.h \
+ /usr/include/machine/endian.h /usr/include/x86/endian.h \
+ /usr/include/sys/_pthreadtypes.h /usr/include/sys/_stdint.h \
+ /usr/include/sys/select.h /usr/include/sys/_sigset.h \
+ /usr/include/sys/timespec.h /usr/include/sys/_timespec.h \
+ /usr/include/time.h /usr/include/xlocale/_time.h linalg.h dual.h \
+ chull.h
+utils.o: utils.c surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h \
+ /usr/include/sys/_null.h /usr/include/sys/_types.h \
+ /usr/include/machine/_types.h /usr/include/x86/_types.h \
+ /usr/include/machine/_limits.h /usr/include/x86/_limits.h \
+ /usr/include/math.h /usr/include/stdlib.h /usr/include/string.h \
+ /usr/include/strings.h /usr/include/xlocale/_strings.h \
+ /usr/include/xlocale/_string.h /usr/include/sys/time.h \
+ /usr/include/sys/_timeval.h /usr/include/sys/types.h \
+ /usr/include/machine/endian.h /usr/include/x86/endian.h \
+ /usr/include/sys/_pthreadtypes.h /usr/include/sys/_stdint.h \
+ /usr/include/sys/select.h /usr/include/sys/_sigset.h \
+ /usr/include/sys/timespec.h /usr/include/sys/_timespec.h \
+ /usr/include/time.h /usr/include/xlocale/_time.h linalg.h
+lp.o: lp.c surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h \
+ /usr/include/sys/_null.h /usr/include/sys/_types.h \
+ /usr/include/machine/_types.h /usr/include/x86/_types.h \
+ /usr/include/machine/_limits.h /usr/include/x86/_limits.h \
+ /usr/include/math.h /usr/include/stdlib.h /usr/include/string.h \
+ /usr/include/strings.h /usr/include/xlocale/_strings.h \
+ /usr/include/xlocale/_string.h /usr/include/sys/time.h \
+ /usr/include/sys/_timeval.h /usr/include/sys/types.h \
+ /usr/include/machine/endian.h /usr/include/x86/endian.h \
+ /usr/include/sys/_pthreadtypes.h /usr/include/sys/_stdint.h \
+ /usr/include/sys/select.h /usr/include/sys/_sigset.h \
+ /usr/include/sys/timespec.h /usr/include/sys/_timespec.h \
+ /usr/include/time.h /usr/include/xlocale/_time.h linalg.h
+chull.o: chull.c surf.h /usr/include/stdio.h /usr/include/sys/cdefs.h \
+ /usr/include/sys/_null.h /usr/include/sys/_types.h \
+ /usr/include/machine/_types.h /usr/include/x86/_types.h \
+ /usr/include/machine/_limits.h /usr/include/x86/_limits.h \
+ /usr/include/math.h /usr/include/stdlib.h /usr/include/string.h \
+ /usr/include/strings.h /usr/include/xlocale/_strings.h \
+ /usr/include/xlocale/_string.h /usr/include/sys/time.h \
+ /usr/include/sys/_timeval.h /usr/include/sys/types.h \
+ /usr/include/machine/endian.h /usr/include/x86/endian.h \
+ /usr/include/sys/_pthreadtypes.h /usr/include/sys/_stdint.h \
+ /usr/include/sys/select.h /usr/include/sys/_sigset.h \
+ /usr/include/sys/timespec.h /usr/include/sys/_timespec.h \
+ /usr/include/time.h /usr/include/xlocale/_time.h linalg.h chull.h
+tessel_cases.o: tessel_cases.c surf.h /usr/include/stdio.h \
+ /usr/include/sys/cdefs.h /usr/include/sys/_null.h \
+ /usr/include/sys/_types.h /usr/include/machine/_types.h \
+ /usr/include/x86/_types.h /usr/include/machine/_limits.h \
+ /usr/include/x86/_limits.h /usr/include/math.h /usr/include/stdlib.h \
+ /usr/include/string.h /usr/include/strings.h \
+ /usr/include/xlocale/_strings.h /usr/include/xlocale/_string.h \
+ /usr/include/sys/time.h /usr/include/sys/_timeval.h \
+ /usr/include/sys/types.h /usr/include/machine/endian.h \
+ /usr/include/x86/endian.h /usr/include/sys/_pthreadtypes.h \
+ /usr/include/sys/_stdint.h /usr/include/sys/select.h \
+ /usr/include/sys/_sigset.h /usr/include/sys/timespec.h \
+ /usr/include/sys/_timespec.h /usr/include/time.h \
+ /usr/include/xlocale/_time.h linalg.h dual.h
+tessel_patches.o: tessel_patches.c surf.h /usr/include/stdio.h \
+ /usr/include/sys/cdefs.h /usr/include/sys/_null.h \
+ /usr/include/sys/_types.h /usr/include/machine/_types.h \
+ /usr/include/x86/_types.h /usr/include/machine/_limits.h \
+ /usr/include/x86/_limits.h /usr/include/math.h /usr/include/stdlib.h \
+ /usr/include/string.h /usr/include/strings.h \
+ /usr/include/xlocale/_strings.h /usr/include/xlocale/_string.h \
+ /usr/include/sys/time.h /usr/include/sys/_timeval.h \
+ /usr/include/sys/types.h /usr/include/machine/endian.h \
+ /usr/include/x86/endian.h /usr/include/sys/_pthreadtypes.h \
+ /usr/include/sys/_stdint.h /usr/include/sys/select.h \
+ /usr/include/sys/_sigset.h /usr/include/sys/timespec.h \
+ /usr/include/sys/_timespec.h /usr/include/time.h \
+ /usr/include/xlocale/_time.h linalg.h
+tessel_convex.o: tessel_convex.c surf.h /usr/include/stdio.h \
+ /usr/include/sys/cdefs.h /usr/include/sys/_null.h \
+ /usr/include/sys/_types.h /usr/include/machine/_types.h \
+ /usr/include/x86/_types.h /usr/include/machine/_limits.h \
+ /usr/include/x86/_limits.h /usr/include/math.h /usr/include/stdlib.h \
+ /usr/include/string.h /usr/include/strings.h \
+ /usr/include/xlocale/_strings.h /usr/include/xlocale/_string.h \
+ /usr/include/sys/time.h /usr/include/sys/_timeval.h \
+ /usr/include/sys/types.h /usr/include/machine/endian.h \
+ /usr/include/x86/endian.h /usr/include/sys/_pthreadtypes.h \
+ /usr/include/sys/_stdint.h /usr/include/sys/select.h \
+ /usr/include/sys/_sigset.h /usr/include/sys/timespec.h \
+ /usr/include/sys/_timespec.h /usr/include/time.h \
+ /usr/include/xlocale/_time.h linalg.h
+tessel_concave.o: tessel_concave.c surf.h /usr/include/stdio.h \
+ /usr/include/sys/cdefs.h /usr/include/sys/_null.h \
+ /usr/include/sys/_types.h /usr/include/machine/_types.h \
+ /usr/include/x86/_types.h /usr/include/machine/_limits.h \
+ /usr/include/x86/_limits.h /usr/include/math.h /usr/include/stdlib.h \
+ /usr/include/string.h /usr/include/strings.h \
+ /usr/include/xlocale/_strings.h /usr/include/xlocale/_string.h \
+ /usr/include/sys/time.h /usr/include/sys/_timeval.h \
+ /usr/include/sys/types.h /usr/include/machine/endian.h \
+ /usr/include/x86/endian.h /usr/include/sys/_pthreadtypes.h \
+ /usr/include/sys/_stdint.h /usr/include/sys/select.h \
+ /usr/include/sys/_sigset.h /usr/include/sys/timespec.h \
+ /usr/include/sys/_timespec.h /usr/include/time.h \
+ /usr/include/xlocale/_time.h linalg.h
+tessel_torus.o: tessel_torus.c surf.h /usr/include/stdio.h \
+ /usr/include/sys/cdefs.h /usr/include/sys/_null.h \
+ /usr/include/sys/_types.h /usr/include/machine/_types.h \
+ /usr/include/x86/_types.h /usr/include/machine/_limits.h \
+ /usr/include/x86/_limits.h /usr/include/math.h /usr/include/stdlib.h \
+ /usr/include/string.h /usr/include/strings.h \
+ /usr/include/xlocale/_strings.h /usr/include/xlocale/_string.h \
+ /usr/include/sys/time.h /usr/include/sys/_timeval.h \
+ /usr/include/sys/types.h /usr/include/machine/endian.h \
+ /usr/include/x86/endian.h /usr/include/sys/_pthreadtypes.h \
+ /usr/include/sys/_stdint.h /usr/include/sys/select.h \
+ /usr/include/sys/_sigset.h /usr/include/sys/timespec.h \
+ /usr/include/sys/_timespec.h /usr/include/time.h \
+ /usr/include/xlocale/_time.h linalg.h
+
+# DEPENDENCIES MUST END AT END OF FILE
+# IF YOU PUT STUFF HERE IT WILL GO AWAY
+# see make depend above
+
+
+# DEPENDENCIES MUST END AT END OF FILE
+# IF YOU PUT STUFF HERE IT WILL GO AWAY
+# see make depend above
+
+
+# DEPENDENCIES MUST END AT END OF FILE
+# IF YOU PUT STUFF HERE IT WILL GO AWAY
+# see make depend above
+
+
+# DEPENDENCIES MUST END AT END OF FILE
+# IF YOU PUT STUFF HERE IT WILL GO AWAY
+# see make depend above
+
+
+# DEPENDENCIES MUST END AT END OF FILE
+# IF YOU PUT STUFF HERE IT WILL GO AWAY
+# see make depend above
+
+
+# DEPENDENCIES MUST END AT END OF FILE
+# IF YOU PUT STUFF HERE IT WILL GO AWAY
+# see make depend above
+
+
+# DEPENDENCIES MUST END AT END OF FILE
+# IF YOU PUT STUFF HERE IT WILL GO AWAY
+# see make depend above
+
# DEPENDENCIES MUST END AT END OF FILE
# IF YOU PUT STUFF HERE IT WILL GO AWAY

10
science/molden/files/patch-surf_utils.c
View File

@@ -1,10 +0,0 @@
--- surf/utils.c.orig 2019-06-28 03:23:08 UTC
+++ surf/utils.c
@@ -76,6 +76,7 @@ find_ray_sphere_int computes the intersection of a ra
uses method given in Graphics Gems I, pp 388-389.
the direction vector of the ray need not be normalized.
----------------------------------------------------------------------------------*/
+void
find_ray_sphere_int(int_point, ray_pt, ray_dir, center, radius)
float int_point[3], center[3];
float ray_pt[3], ray_dir[3];

24
science/molden/pkg-descr
View File

@@ -1,24 +0,0 @@
Molden is a package for displaying Molecular Density from the Ab Initio packages
GAMESS-UK, GAMESS-US and GAUSSIAN and the Semi-Empirical packages Mopac/Ampac,
it also supports a number of other programs via the Molden Format. Molden reads
all the required information from the GAMESS / GAUSSIAN outputfile. Molden is
capable of displaying Molecular Orbitals, the electron density and the Molecular
minus Atomic density. Either the spherically averaged atomic density or the
oriented ground state atomic density can be subtracted for a number of standard
basis sets. Molden supports contour plots, 3-d grid plots with hidden lines and
a combination of both. It can write a variety of graphics instructions;
postscript, XWindows, VRML, povray, OpenGL, tekronix4014, hpgl, hp2392 and
Figure. Both Xwindows and OpenGL versions of Molden are also capable of
importing and displaying of chemx, PDB, and a variety of mopac/ampac files and
lots of other formats. Molden also can animate reaction paths and molecular
vibrations. It can calculate and display the true or Multipole Derived
Electrostatic Potential and atomic charges can be fitted to the Electrostatic
Potential calculated on a Connolly surface. Molden also features an stand alone
forcefield program ambfor, which can optimise geometries with the combined Amber
(protein) and GAFF (small molecules) force fields. Atom typing can be done
automatically and interactively from within Molden, as well as firing
optimisation jobs. Molden has a powerful Z-matrix editor which give full control
over the geometry and allows you to build molecules from scratch, including
polypeptides.
WWW: http://cheminf.cmbi.ru.nl/molden/