------------------------------------------------------------------------------- -- Phase: Environment ------------------------------------------------------------------------------- NO_DEPENDS=1 UNAME_r=6.5 UNAME_m=x86_64 UNAME_p=x86_64 UNAME_v=unknown UNAME_s=DragonFly PATH=/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin SSL_NO_VERIFY_PEER=1 LANG=C HOME=/root USER=root TERM=dumb SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: showconfig ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: CONFIGURE_ENV ------------------------------------------------------------------------------- MAKE=gmake F77="gfortran12" F90="gfortran12" FC="gfortran12" FFLAGS="-O -Wl,-rpath=/usr/local/lib/gcc12" F90FLAGS="-O -Wl,-rpath=/usr/local/lib/gcc12" FCFLAGS="-ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12" XDG_DATA_HOME=/construction/science/multiwfn XDG_CONFIG_HOME=/construction/science/multiwfn XDG_CACHE_HOME=/construction/science/multiwfn/.cache HOME=/construction/science/multiwfn TMPDIR="/tmp" PATH=/construction/science/multiwfn/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin PKG_CONFIG_LIBDIR=/construction/science/multiwfn/.pkgconfig:/usr/local/libdata/pkgconfig:/usr/local/share/pkgconfig:/usr/libdata/pkgconfig SHELL=/bin/sh CONFIG_SHELL=/bin/sh CCVER=gcc80 CMAKE_PREFIX_PATH="/usr/local" SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: CONFIGURE_ARGS ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: MAKE_ENV ------------------------------------------------------------------------------- F77="gfortran12" F90="gfortran12" FC="gfortran12" FFLAGS="-O -Wl,-rpath=/usr/local/lib/gcc12" F90FLAGS="-O -Wl,-rpath=/usr/local/lib/gcc12" FCFLAGS="-ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12" MOTIFLIB="-L/usr/local/lib -lXm" XDG_DATA_HOME=/construction/science/multiwfn XDG_CONFIG_HOME=/construction/science/multiwfn XDG_CACHE_HOME=/construction/science/multiwfn/.cache HOME=/construction/science/multiwfn TMPDIR="/tmp" PATH=/construction/science/multiwfn/.bin:/sbin:/bin:/usr/sbin:/usr/bin:/usr/local/sbin:/usr/local/bin PKG_CONFIG_LIBDIR=/construction/science/multiwfn/.pkgconfig:/usr/local/libdata/pkgconfig:/usr/local/share/pkgconfig:/usr/libdata/pkgconfig MK_DEBUG_FILES=no MK_KERNEL_SYMBOLS=no SHELL=/bin/sh NO_LINT=YES CCVER=gcc80 ADDR2LINE="/usr/local/bin/addr2line" AR="/usr/local/bin/ar" AS="/usr/local/bin/as" CPPFILT="/usr/local/bin/c++filt" GPROF="/usr/local/bin/gprof" LD="/usr/local/bin/ld" NM="/usr/local/bin/nm" OBJCOPY="/usr/local/bin/objcopy" OBJDUMP="/usr/local/bin/objdump" RANLIB="/usr/local/bin/ranlib" READELF="/usr/local/bin/readelf" SIZE="/usr/local/bin/size" STRINGS="/usr/local/bin/strings" PREFIX=/usr/local LOCALBASE=/usr/local NOPROFILE=1 CC="cc" CFLAGS="-pipe -O2 -isystem /usr/local/include -fno-strict-aliasing " CPP="cpp" CPPFLAGS="-isystem /usr/local/include" LDFLAGS=" -lblas -llapack -Wl,-rpath=/usr/local/lib/gcc12 -L/usr/local/lib/gcc12 -B/usr/local/bin " LIBS="-L/usr/local/lib" CXX="c++" CXXFLAGS=" -pipe -O2 -isystem /usr/local/include -fno-strict-aliasing -isystem /usr/local/include " MANPREFIX="/usr/local" BSD_INSTALL_PROGRAM="install -s -m 555" BSD_INSTALL_LIB="install -s -m 0644" BSD_INSTALL_SCRIPT="install -m 555" BSD_INSTALL_DATA="install -m 0644" BSD_INSTALL_MAN="install -m 444" SUCCEEDED 00:00:01 ------------------------------------------------------------------------------- -- Phase: MAKE_ARGS ------------------------------------------------------------------------------- DESTDIR=/construction/science/multiwfn/stage SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: PLIST_SUB ------------------------------------------------------------------------------- OSREL=6.5 PREFIX=%D LOCALBASE=/usr/local RESETPREFIX=/usr/local LIB32DIR=lib PROFILE="@comment " DOCSDIR="share/doc/multiwfn" EXAMPLESDIR="share/examples/multiwfn" DATADIR="share/multiwfn" WWWDIR="www/multiwfn" ETCDIR="etc/multiwfn" SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: SUB_LIST ------------------------------------------------------------------------------- PREFIX=/usr/local LOCALBASE=/usr/local DATADIR=/usr/local/share/multiwfn DOCSDIR=/usr/local/share/doc/multiwfn EXAMPLESDIR=/usr/local/share/examples/multiwfn WWWDIR=/usr/local/www/multiwfn ETCDIR=/usr/local/etc/multiwfn SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: /etc/make.conf ------------------------------------------------------------------------------- DPORTS_BUILDER=yes DISABLE_LICENSES=yes DEFAULT_VERSIONS=ssl=openssl FORCE_PACKAGE=yes DEVELOPER=yes DFLY_STING_XFAIL=yes USE_PACKAGE_DEPENDS_ONLY=yes PORTSDIR=/xports PORT_DBDIR=/options PKG_DBDIR=/var/db/pkg PKG_CACHEDIR=/var/cache/pkg PKG_COMPRESSION_FORMAT=.tgz DEVELOPER=1 WITH_CCACHE_BUILD=yes CCACHE_DIR=/ccache UID=0 ARCH=x86_64 OPSYS=DragonFly DFLYVERSION=600503 OSVERSION=9999999 OSREL=6.5 _OSRELEASE=6.5-SYNTH DISTDIR=/distfiles WRKDIRPREFIX=/construction BATCH=yes PACKAGE_BUILDING=yes PKG_CREATE_VERBOSE=yes MAKE_JOBS_NUMBER=13 SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: setup ------------------------------------------------------------------------------- Installing /packages/All/indexinfo-0.3.1.pkg Installing /packages/All/gettext-runtime-0.21.1.pkg Installing /packages/All/gmake-4.3_2.pkg Installing /packages/All/gmp-6.2.1.pkg Installing /packages/All/mpfr-4.2.0_1,1.pkg Installing /packages/All/mpc-1.3.1_1.pkg UNFLAVORED devel/binutils -> use devel/binutils@native Installing /packages/All/liblz4-1.9.4,1.pkg Installing /packages/All/zstd-1.5.5.pkg Installing /packages/All/binutils-2.40_4,1.pkg Installing /packages/All/gcc12-12.2.0_6.pkg ===== Message from gcc12-12.2.0_6: -- To ensure binaries built with this toolchain find appropriate versions of the necessary run-time libraries, you may want to link using -Wl,-rpath=/usr/local/lib/gcc12 For ports leveraging USE_GCC, USES=compiler, or USES=fortran this happens transparently. Installing /packages/All/xorgproto-2022.1_1.pkg Installing /packages/All/libXau-1.0.9.pkg Installing /packages/All/libXdmcp-1.1.3.pkg Installing /packages/All/libxcb-1.15_1.pkg Installing /packages/All/libX11-1.8.6,1.pkg Installing /packages/All/libICE-1.1.0_1,1.pkg Installing /packages/All/libSM-1.2.3,1.pkg Installing /packages/All/libXt-1.2.1,1.pkg Installing /packages/All/libXext-1.3.4,1.pkg Installing /packages/All/libXpm-3.5.15.pkg Installing /packages/All/ccache-3.7.12_4.pkg Create compiler links... create symlink for cc create symlink for cc (world) create symlink for c++ create symlink for c++ (world) create symlink for CC create symlink for CC (world) create symlink for gcc create symlink for gcc (world) create symlink for g++ create symlink for g++ (world) create symlink for gcc12 create symlink for gcc12 (world) create symlink for g++12 create symlink for g++12 (world) create symlink for cpp12 create symlink for cpp12 (world) ===== Message from ccache-3.7.12_4: -- NOTE: Please read /usr/local/share/doc/ccache/ccache-howto-freebsd.txt for information on using ccache with FreeBSD ports and src. Installing /packages/All/blas-3.11.0_1.pkg Installing /packages/All/lapack-3.11.0_1.pkg Installing /packages/All/openblas-0.3.20_1,1.pkg Installing /packages/All/libglvnd-1.6.0.pkg Installing /packages/All/brotli-1.0.9,1.pkg Installing /packages/All/png-1.6.39.pkg Installing /packages/All/freetype2-2.12.1_2.pkg ===== Message from freetype2-2.12.1_2: -- The 2.7.x series now uses the new subpixel hinting mode (V40 port's option) as the default, emulating a modern version of ClearType. This change inevitably leads to different rendering results, and you might change port's options to adapt it to your taste (or use the new "FREETYPE_PROPERTIES" environment variable). The environment variable "FREETYPE_PROPERTIES" can be used to control the driver properties. Example: FREETYPE_PROPERTIES=truetype:interpreter-version=35 \ cff:no-stem-darkening=1 \ autofitter:warping=1 This allows to select, say, the subpixel hinting mode at runtime for a given application. If LONG_PCF_NAMES port's option was enabled, the PCF family names may include the foundry and information whether they contain wide characters. For example, "Sony Fixed" or "Misc Fixed Wide", instead of "Fixed". This can be disabled at run time with using pcf:no-long-family-names property, if needed. Example: FREETYPE_PROPERTIES=pcf:no-long-family-names=1 How to recreate fontconfig cache with using such environment variable, if needed: # env FREETYPE_PROPERTIES=pcf:no-long-family-names=1 fc-cache -fsv The controllable properties are listed in the section "Controlling FreeType Modules" in the reference's table of contents (/usr/local/share/doc/freetype2/reference/index.html, if documentation was installed). Installing /packages/All/expat-2.5.0.pkg Installing /packages/All/fontconfig-2.14.2,1.pkg Running fc-cache to build fontconfig cache... Installing /packages/All/jpeg-turbo-2.1.5.1.pkg Installing /packages/All/libXmu-1.1.3,1.pkg Installing /packages/All/libXaw-1.0.14,2.pkg Installing /packages/All/xbitmaps-1.1.2.pkg Installing /packages/All/libXrender-0.9.10_2.pkg Installing /packages/All/libXft-2.3.7.pkg Installing /packages/All/open-motif-2.3.8_2.pkg Installing /packages/All/ncurses-6.4.pkg ===== Message from ncurses-6.4: -- To get the terminfo database please install the terminfo-db package: pkg install terminfo-db Installing /packages/All/readline-8.2.1.pkg Installing /packages/All/bash-5.2.15.pkg UNFLAVORED devel/binutils -> use devel/binutils@native SUCCEEDED 00:00:24 ------------------------------------------------------------------------------- -- Phase: check-sanity ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: pkg-depends ------------------------------------------------------------------------------- ===> multiwfn-3.8 depends on file: /usr/local/sbin/pkg - found SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: fetch-depends ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: fetch ------------------------------------------------------------------------------- ===> multiwfn-3.8 depends on file: /usr/local/sbin/pkg - found ===> Fetching all distfiles required by multiwfn-3.8 for building SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: checksum ------------------------------------------------------------------------------- ===> multiwfn-3.8 depends on file: /usr/local/sbin/pkg - found ===> Fetching all distfiles required by multiwfn-3.8 for building => SHA256 Checksum OK for Multiwfn_3.8_dev_src_Linux.zip. => SHA256 Checksum OK for dislin-11.5.fbsd.64.tar.gz. SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: extract-depends ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: extract ------------------------------------------------------------------------------- ===> multiwfn-3.8 depends on file: /usr/local/sbin/pkg - found ===> Fetching all distfiles required by multiwfn-3.8 for building ===> Extracting for multiwfn-3.8 ===> multiwfn-3.8 depends on file: /usr/local/sbin/pkg - found ===> Fetching all distfiles required by multiwfn-3.8 for building => SHA256 Checksum OK for Multiwfn_3.8_dev_src_Linux.zip. => SHA256 Checksum OK for dislin-11.5.fbsd.64.tar.gz. Extracted Memory Use: 54.40M SUCCEEDED 00:00:01 ------------------------------------------------------------------------------- -- Phase: patch-depends ------------------------------------------------------------------------------- SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: patch ------------------------------------------------------------------------------- ===> Patching for multiwfn-3.8 ===> Applying ports patches for multiwfn-3.8 from /xports/science/multiwfn/files SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: build-depends ------------------------------------------------------------------------------- ===> multiwfn-3.8 depends on package: gmake>=4.3 - found ===> multiwfn-3.8 depends on executable: gfortran12 - found ===> multiwfn-3.8 depends on file: /usr/local/bin/as - found ===> multiwfn-3.8 depends on package: xorgproto>=0 - found ===> multiwfn-3.8 depends on file: /usr/local/libdata/pkgconfig/x11.pc - found ===> multiwfn-3.8 depends on file: /usr/local/libdata/pkgconfig/xt.pc - found ===> multiwfn-3.8 depends on file: /usr/local/libdata/pkgconfig/xpm.pc - found ===> multiwfn-3.8 depends on file: /usr/local/bin/ccache - found SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: lib-depends ------------------------------------------------------------------------------- ===> multiwfn-3.8 depends on shared library: libblas.so - found (/usr/local/lib/libblas.so) ===> multiwfn-3.8 depends on shared library: liblapack.so - found (/usr/local/lib/liblapack.so) ===> multiwfn-3.8 depends on shared library: libopenblas.so - found (/usr/local/lib/libopenblas.so) ===> multiwfn-3.8 depends on shared library: libGL.so - found (/usr/local/lib/libGL.so) ===> multiwfn-3.8 depends on shared library: libXm.so.4 - found (/usr/local/lib/libXm.so.4) SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: configure ------------------------------------------------------------------------------- ===> multiwfn-3.8 depends on package: gmake>=4.3 - found ===> multiwfn-3.8 depends on executable: gfortran12 - found ===> multiwfn-3.8 depends on file: /usr/local/bin/as - found ===> multiwfn-3.8 depends on package: xorgproto>=0 - found ===> multiwfn-3.8 depends on file: /usr/local/libdata/pkgconfig/x11.pc - found ===> multiwfn-3.8 depends on file: /usr/local/libdata/pkgconfig/xt.pc - found ===> multiwfn-3.8 depends on file: /usr/local/libdata/pkgconfig/xpm.pc - found ===> multiwfn-3.8 depends on file: /usr/local/bin/ccache - found ===> multiwfn-3.8 depends on shared library: libblas.so - found (/usr/local/lib/libblas.so) ===> multiwfn-3.8 depends on shared library: liblapack.so - found (/usr/local/lib/liblapack.so) ===> multiwfn-3.8 depends on shared library: libopenblas.so - found (/usr/local/lib/libopenblas.so) ===> multiwfn-3.8 depends on shared library: libGL.so - found (/usr/local/lib/libGL.so) ===> multiwfn-3.8 depends on shared library: libXm.so.4 - found (/usr/local/lib/libXm.so.4) ===> Configuring for multiwfn-3.8 SUCCEEDED 00:00:00 ------------------------------------------------------------------------------- -- Phase: build ------------------------------------------------------------------------------- ===> Building for multiwfn-3.8 gmake[2]: Entering directory '/construction/science/multiwfn/Multiwfn_3.8_dev_src_Linux' ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c dislin_d.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c Bspline.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c sym.F ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -msse3 -c ./libreta_hybrid/hrr_012345.f90 ifort -O1 -msse3 -c ./libreta_hybrid/blockhrr_012345.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c ./libreta_hybrid/boysfunc.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c Lebedev-Laikov.F ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c DFTxclib.F ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c edflib.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c fparser.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c atmraddens.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c minpack.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c ./libreta_hybrid/ryspoly.f90 gcc -c ext/no2F2.c -o no2F2.c.o ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c define.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c util.f90 util.f90:2672:40: 2672 | der=(ptval(highpt)-ptval(lowpt))/(ptpos(highpt)-ptpos(lowpt)) | 1 Warning: Legacy Extension: REAL array index at (1) util.f90:2672:11: 2672 | der=(ptval(highpt)-ptval(lowpt))/(ptpos(highpt)-ptpos(lowpt)) | 1 Warning: Legacy Extension: REAL array index at (1) ./libreta_hybrid/boysfunc.f90:67:13: 67 | DO I=2,NOTRMS | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c ./libreta_hybrid/naiveeri.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c plot.f90 plot.f90:1245:6: 1025 | if (iplaneoutall==1) goto 10 !Don't plot anything, but only output coordinate of critical points and paths, and then directly return | 2 ...... 1245 | 10 continue | 1 Warning: Legacy Extension: Label at (1) is not in the same block as the GOTO statement at (2) ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c ext/2F2.f90 -o 2F2.f90.o ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c ./libreta_hybrid/eanvrr_012345.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c ./libreta_hybrid/ean.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c ./libreta_hybrid/libreta.f90 ./libreta_hybrid/libreta.f90:281:22: 281 | do iB = 1,(LB+1)*(LB+2)/2 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer ./libreta_hybrid/libreta.f90:280:18: 280 | do iA = 1,(LA+1)*(LA+2)/2 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c function.f90 function.f90:4721:11: 4721 | do i=0,(l-2*r)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4720:10: 4720 | do r=0,l/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4734:11: 4734 | do j=0,(m-2*s)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4733:10: 4733 | do s=0,m/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4747:11: 4747 | do k=0,(n-2*t)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4746:10: 4746 | do t=0,n/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4851:9: 4851 | DO I=2,NOTRMS | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4551:12: 4551 | do i=0,(l-2*r)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4550:11: 4550 | do r=0,l/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4568:12: 4568 | do j=0,(m-2*s)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4567:11: 4567 | do s=0,m/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4585:12: 4585 | do k=0,(n-2*t)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4584:11: 4584 | do t=0,n/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4410:14: 4410 | do i=0,(l-2*r)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4409:13: 4409 | do r=0,l/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4426:14: 4426 | do j=0,(m-2*s)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4425:13: 4425 | do s=0,m/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4442:14: 4442 | do k=0,(n-2*t)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4441:13: 4441 | do t=0,n/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4157:11: 4157 | do i=0,(l-2*r)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4156:10: 4156 | do r=0,l/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4171:11: 4171 | do j=0,(m-2*s)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4170:10: 4170 | do s=0,m/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4185:11: 4185 | do k=0,(n-2*t)/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer function.f90:4184:10: 4184 | do t=0,n/2D0 | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c GUI.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c sub.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c integral.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c fileIO.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c spectrum.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c DOS.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c Multiwfn.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c 0123dim.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c LSB.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c population.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c orbcomp.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c bondorder.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c topology.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c excittrans.f90 Multiwfn.f90:15:2: 15 | #if defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER) | 1 Warning: Illegal preprocessor directive Multiwfn.f90:17:2: 17 | #endif | 1 Warning: Illegal preprocessor directive Multiwfn.f90:60:2: 60 | #if defined(__INTEL_COMPILER) || defined(__INTEL_LLVM_COMPILER) | 1 Warning: Illegal preprocessor directive Multiwfn.f90:64:2: 64 | #endif | 1 Warning: Illegal preprocessor directive sub.f90:4359:9: 4359 | pause | 1 Warning: Deleted feature: PAUSE statement at (1) population.f90:1931:2: 1702 | goto 20 | 2 ...... 1931 | 20 bondedmat=0 | 1 Warning: Legacy Extension: Label at (1) is not in the same block as the GOTO statement at (2) population.f90:1703:2: 1703 | 30 write(*,"(a)") " Done! The equivalence constraint has been exported to eqvcons_H.txt in current folder" | 1 ...... 2007 | goto 30 | 2 Warning: Legacy Extension: Label at (1) is not in the same block as the GOTO statement at (2) population.f90:4527:23: 4527 | atom_a(iatm)=parma(eleidx,nbond(iatm)) | 1 Warning: Legacy Extension: REAL array index at (1) population.f90:4528:23: 4528 | atom_b(iatm)=parmb(eleidx,nbond(iatm)) | 1 Warning: Legacy Extension: REAL array index at (1) population.f90:4529:23: 4529 | atom_c(iatm)=parmc(eleidx,nbond(iatm)) | 1 Warning: Legacy Extension: REAL array index at (1) population.f90:4554:18: 4554 | iatm,ind2name(eleidx),nbond(iatm),atom_a(iatm),atom_b(iatm),atom_c(iatm),charge(iatm) | 1 Warning: Legacy Extension: REAL array index at (1) sub.f90:4125:19: 4125 | totmass=sum(atmwei(eleidx(:))) | 1 Warning: Legacy Extension: REAL array index at (1) sub.f90:4127:24: 4127 | com1(i)=sum( atmwei(eleidx(:))*xyz1(i,:) )/totmass | 1 Warning: Legacy Extension: REAL array index at (1) sub.f90:4128:24: 4128 | com2(i)=sum( atmwei(eleidx(:))*xyz2(i,:) )/totmass | 1 Warning: Legacy Extension: REAL array index at (1) ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c otherfunc.f90 fileIO.f90:569:10: 569 | MOocc(1:nbelec)=2D0 !Alpha electrons is always more than beta counterpart | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:570:8: 570 | MOocc(nbelec+1:naelec)=1D0 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:570:17: 570 | MOocc(nbelec+1:naelec)=1D0 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:571:9: 571 | MOtype(nbelec+1:naelec)=1 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:571:18: 571 | MOtype(nbelec+1:naelec)=1 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:597:9: 597 | MOocc(1:naelec)=1D0 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:598:16: 598 | MOocc(nbasis+1:nbasis+nbelec)=1D0 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:5148:10: 5148 | MOocc(1:nbelec)=2D0 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:5149:8: 5149 | MOocc(nbelec+1:naelec)=1D0 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:5149:17: 5149 | MOocc(nbelec+1:naelec)=1D0 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:5151:9: 5151 | MOtype(nbelec+1:naelec)=1 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:5151:18: 5151 | MOtype(nbelec+1:naelec)=1 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:5154:10: 5154 | MOocc(1:naelec)=2D0 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:5162:9: 5162 | MOocc(1:naelec)=1D0 | 1 Warning: Legacy Extension: REAL array index at (1) fileIO.f90:5163:16: 5163 | MOocc(nbasis+1:nbasis+nbelec)=1D0 | 1 Warning: Legacy Extension: REAL array index at (1) otherfunc.f90:1330:14: 1330 | do iorbb=1,nbelec | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer otherfunc.f90:1329:13: 1329 | do iorba=1,naelec !Cycle occupied orbitals | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer otherfunc.f90:1039:9: 1039 | MOocc(1:naelec)=2D0 | 1 Warning: Legacy Extension: REAL array index at (1) otherfunc.f90:1041:9: 1041 | MOocc(1:naelec)=1D0 | 1 Warning: Legacy Extension: REAL array index at (1) otherfunc.f90:1042:16: 1042 | MOocc(nbasis+1:nbasis+nbelec)=1D0 | 1 Warning: Legacy Extension: REAL array index at (1) ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c otherfunc2.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c otherfunc3.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O1 -msse3 -DINTEL_MKL -c O1.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c surfana.f90 otherfunc2.f90:922:3: 922 | 100 write(*,*) "Input index for the two orbitals, e.g. 144,340" | 1 ...... 1019 | goto 100 | 2 Warning: Legacy Extension: Label at (1) is not in the same block as the GOTO statement at (2) ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c procgriddata.f90 surfana.f90:252:12: 252 | wrtexpo(wrtnumedr)=wrtstart | 1 Warning: Legacy Extension: REAL array index at (1) surfana.f90:254:31: 254 | write(*,"(E13.5)") wrtexpo(wrtnumedr) | 1 Warning: Legacy Extension: REAL array index at (1) surfana.f90:251:6: 251 | do wrtnumedr=1,nedr | 1 Warning: Deleted feature: Loop variable at (1) must be integer ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c AdNDP.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c fuzzy.f90 AdNDP.f90:135:141: 135 | write(*,"(' #',i4,' Occ:',f7.4,' Atom:',9(i4,a))") icandi,candiocc(icandi),(candiatmlist(icandi,ii),a(candiatmlist(icandi,ii))%name,ii=1,candinatm(icandi)) | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer AdNDP.f90:279:45: 279 | nNAOblk=sum(nNAOatm(candiatmlist(icandi,1:candinatm(icandi)))) !Number of NAOs in current DMNAO block | 1 Warning: Legacy Extension: REAL array index at (1) AdNDP.f90:288:14: 288 | do idx2=1,candinatm(icandi) !Scan columns | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer AdNDP.f90:283:13: 283 | do idx1=1,candinatm(icandi) !Scan rows | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer AdNDP.f90:303:12: 303 | do idx=1,candinatm(icandi) | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer AdNDP.f90:437:120: 437 | write(*,"(' #',i5,' Occ:',f8.4,' Atom:',9(i4,a))") i,savedocc(i),(savedatmlist(i,ii),a(savedatmlist(i,ii))%name,ii=1,savednatm(i)) | 1 Warning: Deleted feature: End expression in DO loop at (1) must be integer ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c CDA.f90 CDA.f90:552:2: 509 | goto 10 !For two fragments cases, directly output CDA result | 2 ...... 552 | 10 if (iopshCDA==0) refocc=2D0 !Reference orbital occupation number | 1 Warning: Legacy Extension: Label at (1) is not in the same block as the GOTO statement at (2) ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c basin.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c orbloc.f90 basin.f90:3843:3: 3843 | 101 eleinttot=0D0 | 1 ...... 3958 | goto 101 | 2 Warning: Legacy Extension: Label at (1) is not in the same block as the GOTO statement at (2) ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c visweak.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c EDA.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c CDFT.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c ETS_NOCV.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c NAONBO.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c grid.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c PBC.f90 grid.f90:883:81: 883 | write(*,"(' The range of x is from ',f12.6,' to ',f12.6,' Bohr,' i5,' points')") ,orgx,endx,nx | 1 Warning: Legacy Extension: Comma before i/o item list at (1) grid.f90:884:81: 884 | write(*,"(' The range of y is from ',f12.6,' to ',f12.6,' Bohr,',i5,' points')") ,orgy,endy,ny | 1 Warning: Legacy Extension: Comma before i/o item list at (1) grid.f90:885:81: 885 | write(*,"(' The range of z is from ',f12.6,' to ',f12.6,' Bohr,',i5,' points')") ,orgz,endz,nz | 1 Warning: Legacy Extension: Comma before i/o item list at (1) ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c hyper_polar.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c deloc_aromat.f90 ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c cp2kmate.f90 gmake noGUI gmake[3]: Entering directory '/construction/science/multiwfn/Multiwfn_3.8_dev_src_Linux' ifort -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL -c noGUI/dislin_d_empty.f90 -o noGUI/dislin_d_empty.o noGUI/dislin_d_empty.f90:5251:2: 5251 | #ifdef DEBUG | 1 Warning: Illegal preprocessor directive noGUI/dislin_d_empty.f90:5253:2: 5253 | #endif | 1 Warning: Illegal preprocessor directive ifort -lblas -llapack -Wl,-rpath=/usr/local/lib/gcc12 -L/usr/local/lib/gcc12 -B/usr/local/bin -ffree-line-length-none -Wl,-rpath=/usr/local/lib/gcc12 -O2 -msse3 -DINTEL_MKL define.o util.o plot.o Bspline.o sym.o libreta.o function.o GUI.o sub.o integral.o Lebedev-Laikov.o DFTxclib.o edflib.o fparser.o fileIO.o spectrum.o DOS.o Multiwfn.o 0123dim.o LSB.o population.o orbcomp.o bondorder.o topology.o excittrans.o otherfunc.o otherfunc2.o otherfunc3.o O1.o surfana.o procgriddata.o AdNDP.o fuzzy.o CDA.o basin.o orbloc.o visweak.o EDA.o CDFT.o ETS_NOCV.o atmraddens.o NAONBO.o grid.o PBC.o hyper_polar.o deloc_aromat.o cp2kmate.o minpack.o blockhrr_012345.o ean.o hrr_012345.o eanvrr_012345.o boysfunc.o naiveeri.o ryspoly.o 2F2.f90.o no2F2.c.o noGUI/dislin_d_empty.o -o Multiwfn_noGUI /usr/local/bin/ld: cannot find -lblas: No such file or directory /usr/local/bin/ld: cannot find -llapack: No such file or directory collect2: error: ld returned 1 exit status gmake[3]: *** [Makefile:49: noGUI] Error 1 gmake[3]: Leaving directory '/construction/science/multiwfn/Multiwfn_3.8_dev_src_Linux' gmake[2]: *** [Makefile:39: default] Error 2 gmake[2]: Leaving directory '/construction/science/multiwfn/Multiwfn_3.8_dev_src_Linux' ===> Compilation failed unexpectedly. Try to set MAKE_JOBS_UNSAFE=yes and rebuild before reporting the failure to the maintainer. *** Error code 1 Stop. make[1]: stopped in /xports/science/multiwfn *** Error code 1 Stop. make: stopped in /xports/science/multiwfn FAILED 00:09:37