From owner-svn-ports-all@freebsd.org Fri Jun 28 03:51:28 2019 Return-Path: Delivered-To: svn-ports-all@mailman.ysv.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mailman.ysv.freebsd.org (Postfix) with ESMTP id 60C7215D6F33; Fri, 28 Jun 2019 03:51:28 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from mxrelay.nyi.freebsd.org (mxrelay.nyi.freebsd.org [IPv6:2610:1c1:1:606c::19:3]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) server-signature RSA-PSS (4096 bits) client-signature RSA-PSS (4096 bits) client-digest SHA256) (Client CN "mxrelay.nyi.freebsd.org", Issuer "Let's Encrypt Authority X3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 1211F873D0; Fri, 28 Jun 2019 03:51:28 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org (repo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:0]) (using TLSv1.2 with cipher ECDHE-RSA-AES256-GCM-SHA384 (256/256 bits)) (Client did not present a certificate) by mxrelay.nyi.freebsd.org (Postfix) with ESMTPS id E1FF721353; Fri, 28 Jun 2019 03:51:27 +0000 (UTC) (envelope-from yuri@FreeBSD.org) Received: from repo.freebsd.org ([127.0.1.37]) by repo.freebsd.org (8.15.2/8.15.2) with ESMTP id x5S3pRlV074106; Fri, 28 Jun 2019 03:51:27 GMT (envelope-from yuri@FreeBSD.org) Received: (from yuri@localhost) by repo.freebsd.org (8.15.2/8.15.2/Submit) id x5S3pQ8o074099; Fri, 28 Jun 2019 03:51:26 GMT (envelope-from yuri@FreeBSD.org) Message-Id: <201906280351.x5S3pQ8o074099@repo.freebsd.org> X-Authentication-Warning: repo.freebsd.org: yuri set sender to yuri@FreeBSD.org using -f From: Yuri Victorovich Date: Fri, 28 Jun 2019 03:51:26 +0000 (UTC) To: ports-committers@freebsd.org, svn-ports-all@freebsd.org, svn-ports-head@freebsd.org Subject: svn commit: r505255 - in head/science: . molden molden/files X-SVN-Group: ports-head X-SVN-Commit-Author: yuri X-SVN-Commit-Paths: in head/science: . molden molden/files X-SVN-Commit-Revision: 505255 X-SVN-Commit-Repository: ports MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit X-Rspamd-Queue-Id: 1211F873D0 X-Spamd-Bar: -- Authentication-Results: mx1.freebsd.org X-Spamd-Result: default: False [-2.94 / 15.00]; local_wl_from(0.00)[FreeBSD.org]; NEURAL_HAM_MEDIUM(-1.00)[-0.999,0]; NEURAL_HAM_SHORT(-0.94)[-0.936,0]; ASN(0.00)[asn:11403, ipnet:2610:1c1:1::/48, country:US]; NEURAL_HAM_LONG(-1.00)[-1.000,0] X-BeenThere: svn-ports-all@freebsd.org X-Mailman-Version: 2.1.29 Precedence: list List-Id: SVN commit messages for the ports tree List-Unsubscribe: , List-Archive: List-Post: List-Help: List-Subscribe: , X-List-Received-Date: Fri, 28 Jun 2019 03:51:28 -0000 Author: yuri Date: Fri Jun 28 03:51:26 2019 New Revision: 505255 URL: https://svnweb.freebsd.org/changeset/ports/505255 Log: New port: science/molden: Program for molecular and electronic structure visualization Added: head/science/molden/ head/science/molden/Makefile (contents, props changed) head/science/molden/distinfo (contents, props changed) head/science/molden/files/ head/science/molden/files/patch-makefile (contents, props changed) head/science/molden/files/patch-surf_Makefile (contents, props changed) head/science/molden/files/patch-surf_utils.c (contents, props changed) head/science/molden/pkg-descr (contents, props changed) Modified: head/science/Makefile Modified: head/science/Makefile ============================================================================== --- head/science/Makefile Fri Jun 28 02:46:07 2019 (r505254) +++ head/science/Makefile Fri Jun 28 03:51:26 2019 (r505255) @@ -154,6 +154,7 @@ SUBDIR += mmdb2 SUBDIR += mmtf-cpp SUBDIR += mol2ps + SUBDIR += molden SUBDIR += molgif SUBDIR += molscript SUBDIR += molsketch Added: head/science/molden/Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/molden/Makefile Fri Jun 28 03:51:26 2019 (r505255) @@ -0,0 +1,49 @@ +# $FreeBSD$ + +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 Added: head/science/molden/distinfo ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/molden/distinfo Fri Jun 28 03:51:26 2019 (r505255) @@ -0,0 +1,3 @@ +TIMESTAMP = 1561690466 +SHA256 (molden6.1.tar.gz) = ba228b863e8f405a9f6c9f6c502e50462a570daeff74661fb317338fcc6d7fb0 +SIZE (molden6.1.tar.gz) = 6263424 Added: head/science/molden/files/patch-makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/molden/files/patch-makefile Fri Jun 28 03:51:26 2019 (r505255) @@ -0,0 +1,18 @@ +--- 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 Added: head/science/molden/files/patch-surf_Makefile ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/molden/files/patch-surf_Makefile Fri Jun 28 03:51:26 2019 (r505255) @@ -0,0 +1,888 @@ +--- 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: 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/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 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/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: 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/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 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/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 \ ++ /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 \ ++ 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 Added: head/science/molden/files/patch-surf_utils.c ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/molden/files/patch-surf_utils.c Fri Jun 28 03:51:26 2019 (r505255) @@ -0,0 +1,10 @@ +--- 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]; Added: head/science/molden/pkg-descr ============================================================================== --- /dev/null 00:00:00 1970 (empty, because file is newly added) +++ head/science/molden/pkg-descr Fri Jun 28 03:51:26 2019 (r505255) @@ -0,0 +1,24 @@ +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 *** DIFF OUTPUT TRUNCATED AT 1000 LINES ***