Here is the relevant output : top srcdir: .. aromatic.pl......ok atom.............ok bond............. All 3 subtests passed cansmi...........ok cmlreadfile......ok conversion.......ok data.............ok ffghemical.......ok ffmmff94.........ok ffuff............ok format...........ok formula..........ok formalcharge.....ok inchi.pl......... All 41 subtests passed inchi2.pl........ All 20 subtests passed internalcoord....ok iterators........ok invalidsmarts....ok invalidsmiles....ok logp_psa.........ok math.............ok mol..............ok residue..........ok rings............ok smarts...........ok smilesmatch......ok unitcell.........ok cml.sh...........ok test-set.sh......skipped: - roundtrip test set not found. Test Summary Report ------------------- bond (Wstat: 0 Tests: 3 Failed: 0) Parse errors: Tests out of sequence. Found (4) but expected (3) inchi.pl (Wstat: 0 Tests: 41 Failed: 0) Parse errors: No plan found in TAP output inchi2.pl (Wstat: 0 Tests: 20 Failed: 0) Parse errors: No plan found in TAP output Files=29, Tests=107719, 34 wallclock secs (11.07 usr 0.06 sys + 18.15 cusr 1.36 csys = 30.64 CPU) Result: FAIL FAIL: wrapper.sh I see failure on both x86 and amd64. emerge --info : Portage 2.1.5.2 (default-linux/x86/2007.0/desktop, gcc-4.2.2, glibc-2.7-r1, 2.6.25-gentoo-r1 i686) ================================================================= System uname: 2.6.25-gentoo-r1 i686 Intel(R) Pentium(R) M processor 1.86GHz Timestamp of tree: Sat, 24 May 2008 04:49:01 +0000 distcc 2.18.3 i686-pc-linux-gnu (protocols 1 and 2) (default port 3632) [disabled] ccache version 2.4 [enabled] app-shells/bash: 3.2_p39 dev-java/java-config: 1.3.7, 2.1.6 dev-lang/python: 2.4.4-r4, 2.5.2-r4 dev-python/pycrypto: 2.0.1-r6 dev-util/ccache: 2.4-r7 sys-apps/baselayout: 2.0.0 sys-apps/openrc: 0.2.4-r1 sys-apps/sandbox: 1.2.18.1-r2 sys-devel/autoconf: 2.13, 2.62 sys-devel/automake: 1.4_p6, 1.5, 1.6.3, 1.7.9-r1, 1.8.5-r3, 1.9.6-r2, 1.10.1-r1 sys-devel/binutils: 2.17, 2.17.50.0.17, 2.17.50.0.18, 2.18-r1, 2.18.50.0.1, 2.18.50.0.2 sys-devel/gcc-config: 1.4.0-r4 sys-devel/libtool: 1.5.26 virtual/os-headers: 2.6.25-r3 ACCEPT_KEYWORDS="x86 ~x86" CBUILD="i686-pc-linux-gnu" CFLAGS="-O2 -march=pentium-m -pipe -fomit-frame-pointer" CHOST="i686-pc-linux-gnu" CONFIG_PROTECT="/etc /usr/kde/3.5/env /usr/kde/3.5/share/config /usr/kde/3.5/shutdown /usr/kde/4.0/env /usr/kde/4.0/share/config /usr/kde/4.0/shutdown /usr/share/config" CONFIG_PROTECT_MASK="/etc/env.d /etc/env.d/java/ /etc/fonts/fonts.conf /etc/gconf /etc/gentoo-release /etc/php/apache2-php5/ext-active/ /etc/php/cgi-php5/ext-active/ /etc/php/cli-php5/ext-active/ /etc/revdep-rebuild /etc/splash /etc/terminfo /etc/texmf/web2c /etc/udev/rules.d" CXXFLAGS="-O2 -march=pentium-m -pipe -fomit-frame-pointer" DISTDIR="/usr/portage/distfiles" FEATURES="ccache distlocks parallel-fetch sandbox sfperms strict test unmerge-orphans userfetch" GENTOO_MIRRORS=" http://mirror.ovh.net/gentoo-distfiles/" LANG="fr_FR.utf-8" LC_ALL="fr_FR.utf-8" LDFLAGS="-Wl,-O1 -Wl,--hash-style=gnu" LINGUAS="fr" MAKEOPTS="-j2" PKGDIR="/usr/portage/packages" PORTAGE_RSYNC_OPTS="--recursive --links --safe-links --perms --times --compress --force --whole-file --delete --stats --timeout=180 --exclude=/distfiles --exclude=/local --exclude=/packages" PORTAGE_TMPDIR="/var/tmp" PORTDIR="/usr/portage" PORTDIR_OVERLAY="/usr/local/overlays/proaudio/proaudio /usr/local/overlays/local" SYNC="rsync://rsync.europe.gentoo.org/gentoo-portage" USE="3d X X509 Xaw3d a52 aac aalib acl acpi ada adns adplug afs aiglx aio akode alsa amrnb amrwb animation apache2 apm arts artswrappersuid asf atm audiofile avahi bash-completion bashlogger beagle bench berkdb bidi bindist bl bonjour bootsplash border branding browserplugin bs bzip2 cairo caps cdda cddb cdio cdparanoia cdr cgi chardet chipcard chroot cjk cli compositor console copacity cpudetection cracklib crashhandler crypt ctype cups curl curlwrappers cvs cyrillic d daap dbus dc1394 dedicated dg dga dia directfb disk-partition djvu dlloader dmi dmx dock dri dssi dts dv dvb dvd dvdnav dvdr dvdread dvi dynagraph edl elf emboss enca encode esd evo exif extra extra-algorithms extrafilters fam fame fbcon fbcondecor fbsplash ffmpeg fftw firefox flac flash float font-server fortran fpx ftp fuse gcj gcrypt gd gdbm ggi gif gimp glib glibc-compat20 glibc-omitfp glitz glut gmp gnutls gphoto2 gpm graphics graphviz group gs gstreamer gtk gtk2 hal hardened hash hbci howl-compat httpd hybrid i8x0 iconv idea idn ieee1394 imagemagick imlib immqt inkjar inquisitio iontruetype iproute2 ipv6 isdnlog jack jack-tmpfs java javascript jbig jingle jpeg jpeg2k kde kdeenablefinal kdehiddenvisibility kerberos kig-scripting kpathsea l7filter ladcca ladspa lamelaptop lash lcms ldap lesstif libcaca libffi libgcrypt libnotify libsamplerate lilypond live lm_sensors logitech-mouse logrotate loop-aes lua lzma lzo mad matroska md5sum mdnsresponder-compat meanwhile midi mikmod miniwin mjpeg mktemp mmap mmx mmxext mng mod modplug mono motif mozilla mozsha1 mozsvg mp2 mp3 mp4 mpeg msn mtp mudflap multislot multitarget musepack music musicbrainz nas nat ncurses neXt neg nemesi netboot nethack netjack network network-cron nis nls nntp nptl nptlonly nsplugin ntp objc objc++ objc-gc ofx ogg oggvorbis omega openal openexr opengl openmp openntpd osc oss pam pam_chroot pam_timestamp pango parse-clocks pascal passwdqc pcap pccts pch pcmcia pcre pdf perforce perl perlsuid pertty php pic pkcs11 plotutils plugins png pnm portage portaudio postgres postscript povray ppds pppd profile pstricks publishers pulseaudio put pvr python qa qq qt qt3 qt3support qt4 quicktime quotes radio rar rc5 rdesktop readlinereal reflection regex rpm rtc rtsp ruby samba sasl scanner science script sdl sdl-image sensord server session sftplogging shout showdesktop sidspoof-sourcesilc skey slang smi smux sndfile snmp soap sox speex spell spl sql sqlite sqlite3 srt sse sse2 ssl startup-notification state stream subversion suhosin svg svga svnserve swat sysfs taglib tcltk tcpd teletext test tetex tex4ht tga theora threads threadsafe tidy tiff timidity toolbar trailfocus truetype tta twolame ucs2 unicode upnp usb v4l v4l2 vcd vda vesa-tng vesafb-tng vga vidix vim vim-pager vim-syntax vim-with-x visualization vlm vorbis vorbis-psy vst wallpaper wavpack webdav widget wifi win32codecs wma wmf wmlreadere wxwindows x11 x264 x86 xanim xattr xcb xcomposite xetex xine xinerama xml xml2 xmlwriter xorg xosd xprint xsl xv xvid xvmc yv12 zeroconf zip zlib" ALSA_CARDS="hda-intel" ALSA_PCM_PLUGINS="adpcm alaw asym copy dmix dshare dsnoop empty extplug file hooks iec958 ioplug ladspa lfloat linear meter mulaw multi null plug rate route share shm softvol" APACHE2_MODULES="actions alias auth_basic authn_alias authn_anon authn_dbm authn_default authn_file authz_dbm authz_default authz_groupfile authz_host authz_owner authz_user autoindex cache dav dav_fs dav_lock deflate dir disk_cache env expires ext_filter file_cache filter headers include info log_config logio mem_cache mime mime_magic negotiation rewrite setenvif speling statusunique_id userdir usertrack vhost_alias" ELIBC="glibc" INPUT_DEVICES="evdev mouse keyboard synaptics" KERNEL="linux" LCD_DEVICES="bayrad cfontz cfontz633 glk hd44780 lb216 lcdm001 mtxorb ncurses text" LINGUAS="fr" USERLAND="GNU" VIDEO_CARDS="v4l vga vesa radeon fbdev fglrx" Unset: CPPFLAGS, CTARGET, EMERGE_DEFAULT_OPTS, INSTALL_MASK, PORTAGE_COMPRESS, PORTAGE_COMPRESS_FLAGS, PORTAGE_RSYNC_EXTRA_OPTS Portage 2.1.5.2 (default-linux/amd64/2007.0/desktop, gcc-4.2.2, glibc-2.7-r1, 2.6.25-gentoo-r1 x86_64) ================================================================= System uname: 2.6.25-gentoo-r1 x86_64 AMD Athlon(tm) 64 Processor 3000+ Timestamp of tree: Sat, 24 May 2008 11:45:01 +0000 distcc 2.18.3 x86_64-pc-linux-gnu (protocols 1 and 2) (default port 3632) [disabled] ccache version 2.4 [enabled] app-shells/bash: 3.2_p39 dev-java/java-config: 1.3.7, 2.1.6 dev-lang/python: 2.4.4-r4, 2.5.1-r5 dev-python/pycrypto: 2.0.1-r6 dev-util/ccache: 2.4-r7 sys-apps/baselayout: 2.0.0 sys-apps/openrc: 0.2.4-r1 sys-apps/sandbox: 1.2.18.1-r2 sys-devel/autoconf: 2.13, 2.62 sys-devel/automake: 1.4_p6, 1.5, 1.6.3, 1.7.9-r1, 1.8.5-r3, 1.9.6-r2, 1.10.1-r1 sys-devel/binutils: 2.18-r1, 2.18.50.0.1 sys-devel/gcc-config: 1.4.0-r4 sys-devel/libtool: 1.5.26 virtual/os-headers: 2.6.25-r3 ACCEPT_KEYWORDS="amd64 ~amd64" CBUILD="x86_64-pc-linux-gnu" CFLAGS="-march=athlon64 -pipe -O2" CHOST="x86_64-pc-linux-gnu" CONFIG_PROTECT="/etc /usr/NX/etc /usr/NX/home /usr/kde/3.5/env /usr/kde/3.5/share/config /usr/kde/3.5/shutdown /usr/share/config /var/bind" CONFIG_PROTECT_MASK="/etc/env.d /etc/env.d/java/ /etc/fonts/fonts.conf /etc/gconf /etc/gentoo-release /etc/php/apache2-php5/ext-active/ /etc/php/cgi-php5/ext-active/ /etc/php/cli-php5/ext-active/ /etc/revdep-rebuild /etc/splash /etc/terminfo /etc/texmf/web2c /etc/udev/rules.d" CXXFLAGS="-march=athlon64 -pipe -O2" DISTDIR="/usr/portage/distfiles" FEATURES="ccache distlocks parallel-fetch sandbox sfperms strict test unmerge-orphans userfetch" GENTOO_MIRRORS="http://mirror.ovh.net/gentoo-distfiles/ http://gentoo.modulix.net/gentoo/ http://ftp.club-internet.fr/pub/mirrors/gentoo " LANG="fr_FR.utf-8" LC_ALL="fr_FR.utf-8" LDFLAGS="-Wl,--as-needed -Wl,-O1 -Wl,--hash-style=gnu -Wl,--sort-common" LINGUAS="fr" MAKEOPTS="-j2" PKGDIR="/usr/portage/packages" PORTAGE_RSYNC_OPTS="--recursive --links --safe-links --perms --times --compress --force --whole-file --delete --stats --timeout=180 --exclude=/distfiles --exclude=/local --exclude=/packages" PORTAGE_TMPDIR="/var/tmp" PORTDIR="/usr/portage" PORTDIR_OVERLAY="/usr/local/overlays/proaudio/proaudio/trunk/overlays/proaudio /usr/local/overlays/nouveau-overlay /usr/local/overlays/local" SYNC="rsync://rsync.europe.gentoo.org/gentoo-portage" USE="3d 3dnow 3dnowext X X509 Xaw3d a52 aac aalib accessibility ace acl acpi ada adns aio akode alsa amarok amd64 amr amrnb amrwb animation annotate ao apache2 apm aqsis ares arts artswrappersuid asf async atm audacious audiofile automount avahi avi background bash-completion bashlogger bench berkdb bidi bitmap-fonts bl blas blender-game bonjour boost border branding browserplugin bs bzip2 ca0106 cairo caps cdda cddb cdio cdr cgkit chardet chipcard chroot cjk cli compress copacity corba cpio cpudetection cracklib crashhandler crypt cscope css ctype cups curl d daap dba dbus dedicated device-mapper directfb disk-partition divx djbfft djvu dlloader dmi dri dts dv dvb dvd dvdnav dvdr dvdread dvi dynamic emboss emovix enca encode enscript escreen esd evo exif expat exscalibar extensions extra-algorithms extrafilters fam fame fastbuild fbcon fbcondecor fbdev ffmpeg fftw filepicker firectfb firefox fits flac flash float font-server fontconfig foomaticdb force-cgi-redirect fortran fping fpx freetype2 ftp fuse gadu gcj gd gdbm geoip ggi gif gimp gimpprint glibc-omitfp glitz glut gmedia gmpgnokii gnuplot gnutls gpac gpg gpm graphics graphviz group gs gstreamer gtk gtk2 gtkhtml gts hal hardened hbci hdf5 howl howl-compat httpd hybrid icecast iconv icu id3 idea idn ifc ifp ilbc imagemagick imlib immqt inotify intl ip2200 iproute2 ipv6 irc isdnlog ithreads jack jack-tmpfs java javascript jbig jce jingle jpeg jpeg2k kde kdeenablefinal kdehiddenvisibility kerberos kpathsea ladsp ladspa lame lapack lash lcms ldap lesstif libaa libcaca libg++ libgcrypt libnotify libsamplerate live lm_sensors logitech-mouse logrotate loop-aes lucene lzo lzw lzw-tiff macmenu mad maps math matroska md5sum mdnsresponder-compat meanwhile memlimit midi mikmod miniwin mjpeg mktemp mmap mmx mmxext mng mod modplug mono motif mozbranding mozilla mozsha1 mozsvg mp2 mp3 mp4 mp4live mpeg mpeg2 mpi mplayer msn mtp mudflap mule multislot musepack music musicbrainz nas nat ncurses neXt neg nemesi net nethack netjack network network-cron nextaw nfs nls nntp nossp nouveau nptl nptlonly nsplugin nss nv nvidia objc objc++ objc-gc odbc ofx ogg openal openexr opengl openmp openntpd openssl ortp osd oss pam parse-clocks pascal passwdqc pcapnav pch pcre pdf pdflib perl perlsuid pertty pg-hier pg-intdatetime php physfs pic pkcs11 player plib plotutils png pnm portaudioposix postgres povray ppds pppd profile pstricks pulseaudio put python qmail qq qt qt-copy qt3 qt3support qt4 quicktime quotes radio rar rc5 readline realmedia reflection resolvconf risky rpm rsync rtc rtsp ruby rubytests samba sasl scanner science sdl sdl-image sensord server session sftp sftplogging shorten shout showdesktop simplexml skey slang slp sndfile snmp soap sockets soundtouch sox speex spell spl spoof-source sqlite sqlite3 srt sse sse2 ssl startup-notification state stream subtitles subversion suhosin svg swat sysfs taglib tcltk tcpd teletext test tetex tga theora threads tiff tivo tokenizer tools tordns trailfocus truetype truetype-fonts type1-fonts udev unicode unstablecups upnp usb uuencode v4l v4l2 vcd verse vhosts vidcap vim-syntax vim-with-x visualization vlm vorbis wallpaper wavpack webdav widget wifi wma wmf wmp wxwindows x264 xanim xattr xcb xchatdccserver xchattext xcomposite xetex xface xine xinerama xml xml2 xorg xosd xpm xprint xsl xulrunner xv xvid xvmc yafray yp yv12 zeroconf zip zlib" ALSA_CARDS="ca0106 intel8x0 intel8x0m bt87x" ALSA_PCM_PLUGINS="adpcm alaw asym copy dmix dshare dsnoop empty extplug file hooks iec958 ioplug ladspa lfloat linear meter mulaw multi null plug rate route share shm softvol" APACHE2_MODULES="actions alias auth_basic auth_digest authn_anon authn_dbd authn_dbm authn_default authn_file authz_dbm authz_default authz_groupfile authz_host authz_owner authz_user autoindex cache dav dav_fs dav_lock dbd deflate dir disk_cache env expires ext_filter file_cache filter headers ident imagemap include info log_config logio mem_cache mime mime_magic negotiation proxy proxy_ajp proxy_balancer proxy_connect proxy_http rewrite setenvif so speling status unique_id userdir usertrack vhost_alias" ELIBC="glibc" INPUT_DEVICES="keyboard mouse evdev" KERNEL="linux" LCD_DEVICES="bayrad cfontz cfontz633 glk hd44780 lb216 lcdm001 mtxorb ncurses text" LINGUAS="fr" USERLAND="GNU" VIDEO_CARDS="vesa nvidia v4l fbdev nouveau" Unset: CPPFLAGS, CTARGET, EMERGE_DEFAULT_OPTS, INSTALL_MASK, PORTAGE_COMPRESS, PORTAGE_COMPRESS_FLAGS, PORTAGE_RSYNC_EXTRA_OPTS
sci-chemistry/openbabel-2.2.0 fails also.
Would you mind contacting upstream and asking them about this. This is likely something that they should look at since they know their code/tests much better than we do. Best, Markus
As allready mentioned this is an upstream issue, besides it is not a problem anymore with openbabel-2.2.0, looks like upstream decided to ignore this for now. Should be closed. top srcdir: .. aromatic......ok atom..........ok bond..........ok cansmi........ok cmlreadfile...ok conversion....ok data..........ok ffghemical....ok ffmmff94......ok ffuff.........ok format........ok formula.......ok formalcharge..ok internalcoord.ok iterators.....ok invalidsmarts.ok invalidsmiles.ok logp_psa......ok math..........ok mol...........ok phmodel.......ok residue.......ok rings.........ok smarts........ok smilesmatch...ok unitcell......ok cml...........ok test-set......skipped all skipped: - roundtrip test set not found. ./inchi.......ok ./inchi2......ok All tests successful, 1 test skipped. Files=30, Tests=107748, 23 wallclock secs (13.01 cusr + 1.66 csys = 14.67 CPU) PASS: wrapper.sh ================== All 1 tests passed ==================
There are some issues with some of the tests, I will work with upstream on resolving any remaining issues.
