emerge of [science overlay] sci-chemistry/nwchem failed during configure stage. Reproducible: Always Steps to Reproduce: 1. layman -a science 2. emerge -av sci-chemistry/nwchem 3. emerge --info Portage 2.2.0_alpha196 (default/linux/amd64/13.0/desktop/kde, gcc-4.7.3, glibc-2.17, 3.10.5-gentoo-r1 x86_64) ================================================================= System uname: Linux-3.10.5-gentoo-r1-x86_64-Intel-R-_Core-TM-2_Duo_CPU_E7500_@_2.93GHz-with-gentoo-2.2 KiB Mem: 1919712 total, 54572 free KiB Swap: 3156768 total, 3145692 free Timestamp of tree: Fri, 09 Aug 2013 04:30:01 +0000 ld GNU ld (GNU Binutils) 2.23.1 ccache version 3.1.9 [enabled] app-shells/bash: 4.2_p45 dev-java/java-config: 2.2.0 dev-lang/python: 2.7.5-r1 dev-util/ccache: 3.1.9 dev-util/cmake: 2.8.11.1 dev-util/pkgconfig: 0.28 sys-apps/baselayout: 2.2 sys-apps/openrc: 0.11.8 sys-apps/sandbox: 2.6-r1 sys-devel/autoconf: 2.13, 2.69 sys-devel/automake: 1.11.6, 1.12.6, 1.13.4, 1.14 sys-devel/binutils: 2.23.1 sys-devel/gcc: 4.7.3 sys-devel/gcc-config: 1.8 sys-devel/libtool: 2.4.2 sys-devel/make: 3.82-r4 sys-kernel/linux-headers: 3.9 (virtual/os-headers) sys-libs/glibc: 2.17 Repositories: gentoo overlays-oschtan flying science Installed sets: @kde-installed, @toolchain ACCEPT_KEYWORDS="amd64 ~amd64" ACCEPT_LICENSE="* -@EULA PUEL googleearth AdobeFlash-11.x skype-4.0.0.7-copyright" CBUILD="x86_64-pc-linux-gnu" CFLAGS="-march=core2 -msse4.1 -O2 -pipe" CHOST="x86_64-pc-linux-gnu" CONFIG_PROTECT="/etc /usr/share/config /usr/share/gnupg/qualified.txt /usr/share/polkit-1/actions /var/lib/hsqldb" CONFIG_PROTECT_MASK="/etc/ca-certificates.conf /etc/env.d /etc/fonts/fonts.conf /etc/gconf /etc/gentoo-release /etc/revdep-rebuild /etc/sandbox.d /etc/splash /etc/terminfo /etc/texmf/language.dat.d /etc/texmf/language.def.d /etc/texmf/updmap.d /etc/texmf/web2c" CXXFLAGS="-march=core2 -msse4.1 -O2 -pipe" DISTDIR="/mnt/slag/distfiles" EMERGE_DEFAULT_OPTS="--autounmask=n" FCFLAGS="-O2 -pipe" FEATURES="assume-digests binpkg-logs buildpkg ccache collision-protect distlocks ebuild-locks fixlafiles merge-sync metadata-transfer news parallel-fetch preserve-libs protect-owned sandbox sfperms strict unknown-features-warn unmerge-logs unmerge-orphans userfetch userpriv usersandbox usersync xattr" FFLAGS="-O2 -pipe" GENTOO_MIRRORS="http://ash.catalysis.ru/gentoo/ http://linux.nsu.ru/gentoo-distfiles http://mirror.yandex.ru/gentoo-distfiles/ http://trumpetti.atm.tut.fi/gentoo" LANG="ru_RU.UTF-8" LC_ALL="" LDFLAGS="-Wl,-O1 -Wl,--as-needed" MAKEOPTS="-j3" PKGDIR="/mnt/slag/packages" PORTAGE_CONFIGROOT="/" PORTAGE_RSYNC_OPTS="--recursive --links --safe-links --perms --times --omit-dir-times --compress --force --whole-file --delete --stats --human-readable --timeout=180 --exclude=/distfiles --exclude=/local --exclude=/packages" PORTAGE_TMPDIR="/mnt/slag" PORTDIR="/mnt/slag/gentoo-tree" PORTDIR_OVERLAY="/mnt/slag/layman/oschtan /mnt/slag/layman/flying /mnt/slag/layman/science" SYNC="rsync://ash.catalysis.ru/gentoo-portage/" USE="7zip X a52 aac aalib acl acpi additions alsa amd64 amr amrnb amrwb ao apm apng applet audiofile bash-completion bazaar bdf berkdb branding bs2b bzip2 cairo caps cdda cdparanoia cdr chm cjk cleartype cli color-console consolekit cracklib crypt cups cvs cxx dbus declarative dirac divx djvu dri drm dts dvd dvdr dvdread egl emboss emf enca encode eselect exceptions exif extensions faac faad fam fbcondecor ffmpeg fftw firefox flac fontconfig fortran ftp fuse gallium gcj gd gif gimp git glitz gmedia gmp gpg gphoto2 gpm graphviz gstreamer hddtemp hdri htmlhandbook icons iconv icq icu imagemagick imlib jabber java jbig jingle jpeg jpeg2k kde kipi lame latex lcms libass libffi libnotify libsamplerate lm_sensors lzma lzo mad mdnsresponder-compat mercurial midi mikmod mime mms mmx mmxext mng modplug modules motif mp2 mp3 mp4 mpeg mplayer mudflap multilib multitarget musepack natspec ncurses network nls nova npp nptl nptlonly nsplugin oav ogg openexr opengl openmp opus orc oscar osmesa pam pango pcre pdf perl pertty pgo phonon plasma plotutils png policykit postscript povray ppds pulseaudio python qt3support qt4 quicktime rar raw rcc readline real realmedia reflection rtc samba scanner schroedinger scrobbler sdl sensord session sndfile sound spell spl sqlite srt sse sse2 sse3 sse4_1 ssl ssse3 startup-notification subversion suid svg symlink syslog system-sqlite szip taglib tcpd templates theora threads thumbnail tidy tiff truetype udev udisks unicode unsupported upower usb userlocales utempter vaapi vcd visualization vorbis vpx wavpack webkit webp wma wmf wmp wxwidgets x264 x264-svn-encoder xattr xcb xcomposite xml xorg xpm xv xvid zip zlib" ABI_X86="64" ALSA_CARDS="intel-hda" APACHE2_MODULES="authn_core authz_core socache_shmcb unixd 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 cgi cgid 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 status unique_id userdir usertrack vhost_alias" CALLIGRA_FEATURES="kexi words flow plan sheets stage tables krita karbon braindump author" CAMERAS="adc65 agfa_cl20 aox barbie canon casio_qv clicksmart310 digigr8 digita dimagev dimera3500 directory enigma13 fuji gsmart300 hp215 iclick jamcam jd11 kodak_dc120 kodak_dc210 kodak_dc240 kodak_dc3200 kodak_ez200 konica konica_qm150 largan lg_gsm mars mustek panasonic_coolshot panasonic_dc1000 panasonic_dc1580 panasonic_l859 pccam300 pccam600 polaroid_pdc320 polaroid_pdc640 polaroid_pdc700 ptp2 ricoh ricoh_g3 samsung sierra sipix_blink sipix_blink2 sipix_web2 smal sonix sony_dscf1 sony_dscf55 soundvision spca50x sq905 stv0674 stv0680 sx330z template toshiba_pdrm11 jl2005a topfield ax203 st2205 jl2005c tp6801" COLLECTD_PLUGINS="df interface irq load memory rrdtool swap syslog" CURL_SSL="gnutls" ELIBC="glibc" GPSD_PROTOCOLS="ashtech aivdm earthmate evermore fv18 garmin garmintxt gpsclock itrax mtk3301 nmea ntrip navcom oceanserver oldstyle oncore rtcm104v2 rtcm104v3 sirf superstar2 timing tsip tripmate tnt ubx" INPUT_DEVICES="evdev" KERNEL="linux" LCD_DEVICES="bayrad cfontz cfontz633 glk hd44780 lb216 lcdm001 mtxorb ncurses text" LIBREOFFICE_EXTENSIONS="presenter-console presenter-minimizer nlpsolver pdfimport" LINGUAS="ru ru_RU" OFFICE_IMPLEMENTATION="libreoffice" PHP_TARGETS="php5-4" PYTHON_SINGLE_TARGET="python2_7" PYTHON_TARGETS="python2_7" RUBY_TARGETS="ruby19" SANE_BACKENDS="abaton agfafocus apple artec artec_eplus48u as6e avision bh canon canon630u canon_dr canon_pp cardscan coolscan coolscan2 coolscan3 dc210 dc240 dc25 dell1600n_net dmc epjitsu epson epson2 fujitsu genesys gt68xx hp hp3500 hp3900 hp4200 hp5400 hp5590 hpljm1005 hpsj5s hs2p ibm kodak kvs1025 leo lexmark ma1509 matsushita microtek microtek2 mustek mustek_pp mustek_usb nec net niash p5 pie pixma plustek plustek_pp qcam ricoh rts8891 s9036 sceptre sharp sm3600 sm3840 snapscan sp15c st400 stv680 tamarack teco1 teco2 teco3 test u12 umax umax1220u umax_pp xerox_mfp kvs20xx magicolor pnm kodakaio kvs40xx mustek_usb2" USERLAND="GNU" VIDEO_CARDS="i965 intel" XTABLES_ADDONS="quota2 psd pknock lscan length2 ipv4options ipset ipp2p iface geoip fuzzy condition tee tarpit sysrq steal rawnat logmark ipmark dhcpmac delude chaos account" Unset: CPPFLAGS, CTARGET, INSTALL_MASK, PORTAGE_BUNZIP2_COMMAND, PORTAGE_COMPRESS, PORTAGE_COMPRESS_FLAGS, PORTAGE_RSYNC_EXTRA_OPTS, USE_PYTHON
Created attachment 355732 [details] Full build.log
I found this post on NWChem forum with similar problem: http://www.nwchem-sw.org/index.php/Special:AWCforum/st/id882/compiling_without_MPI.html May be it will be helpful.
At Changelog of NWChem-6.3 developers says that MPI must be installed to compile NWChem[1] So I add export ARMCI_NETWORK SOCKETS at nwchem-6.3-r1.ebuild from science-overlay --- nwchem-6.3-r1.ebuild 2013-07-23 20:56:18.000000000 +0700 +++ nwchem-6.3-r1.ebuild 2013-09-02 09:08:07.000000000 +0700 @@ -68,4 +68,5 @@ export USE_SUBGROUPS=yes if use mpi ; then + export ARMCI_NETWORK SOCKETS export MSG_COMMS=MPI export USE_MPI=yes After that I have successful compilation of nwchem. *[1] http://www.nwchem-sw.org/index.php/NWChem_6.2#Other
Is this still an issue with nwchem-6.3_p2-r1?
(In reply to Marius Brehler from comment #4) > Is this still an issue with nwchem-6.3_p2-r1? Right now I have installed sci-chemistry/nwchem-6.5_p26243-r7 from science-overlay. So I can't say anything about sci-chemistry/nwchem-6.3_p2-r1.
WONTFIX because package has been removed
