Bugzilla Bug 141672

Hello,

gromacs-3.3 fails to compile with:

 i686-pc-linux-gnu-g77 -O3 -ffast-math -fomit-frame-pointer -finline-functions
-funroll-all-loops -Wall -Wno-unused -c nb_kernel010_f.f -o nb_kernel010_f.o
/bin/sh ../../../../libtool --mode=compile --tag=F77 i686-pc-linux-gnu-g77  -O3
-ffast-math -fomit-frame-pointer -finline-functions -funroll-all-loops -Wall
-Wno-unused -c -o nb_kernel020_f.lo nb_kernel020_f.f
 i686-pc-linux-gnu-g77 -O3 -ffast-math -fomit-frame-pointer -finline-functions
-funroll-all-loops -Wall -Wno-unused -c nb_kernel020_f.f -o nb_kernel020_f.o
 In file nb_kernel020_f.f:129

          iexp             = rshift(and(bval,expmask),expshift)         
                            1
Error: Function 'rshift' at (1) has no IMPLICIT type
 In file nb_kernel020_f.f:131
....
Error: Function 'rshift' at (1) has no IMPLICIT type
make[6]: *** [nb_kernel020_f.lo] Error 1

root@cheetah:/root(11)# emerge --info
Portage 2.1.1_pre3-r4 (default-linux/x86/2006.0, gcc-4.1.1/hardened,
glibc-2.4-r3, 2.6.17.4 i686)
=================================================================
System uname: 2.6.17.4 i686 AMD Athlon(tm) XP 1800+
Gentoo Base System version 1.12.1
distcc 2.18.3 i686-pc-linux-gnu (protocols 1 and 2) (default port 3632)
[disabled]
ccache version 2.4 [disabled]
app-admin/eselect-compiler: 2.0.0_rc2-r1
dev-lang/python:     2.4.3-r1
dev-python/pycrypto: 2.0.1-r5
dev-util/ccache:     2.4-r2
dev-util/confcache:  [Not Present]
sys-apps/sandbox:    1.2.18.1
sys-devel/autoconf:  2.13, 2.60
sys-devel/automake:  1.4_p6, 1.5, 1.6.3, 1.7.9-r1, 1.8.5-r3, 1.9.6-r2
sys-devel/binutils:  2.17
sys-devel/gcc-config: 2.0.0_rc1
sys-devel/libtool:   1.5.22
virtual/os-headers:  2.6.11-r5
ACCEPT_KEYWORDS="x86 ~x86"
AUTOCLEAN="yes"
CBUILD="i686-pc-linux-gnu"
CFLAGS="-O2 -march=athlon-xp -fomit-frame-pointer"
CHOST="i686-pc-linux-gnu"
CONFIG_PROTECT="/etc /usr/grass60/etc /usr/kde/3.5/env
/usr/kde/3.5/share/config /usr/kde/3.5/shutdown /usr/share/X11/xkb
/usr/share/config"
CONFIG_PROTECT_MASK="/etc/env.d /etc/env.d/java/ /etc/eselect/compiler
/etc/gconf /etc/java-config/vms/ /etc/revdep-rebuild /etc/terminfo
/etc/texmf/web2c"
CXXFLAGS="-O2 -march=athlon-xp -fomit-frame-pointer"
DISTDIR="/usr/portage/distfiles"
FEATURES="autoconfig distlocks fixpackages metadata-transfer sandbox sfperms
strict"
GENTOO_MIRRORS="http://linux.rz.ruhr-uni-bochum.de/download/gentoo-mirror
http://ftp-stud.fht-esslingen.de/pub/Mirrors/gentoo/
rsync://ftp.fi.muni.cz/pub/linux/gentoo
ftp://ftp.wh2.tu-dresden.de/pub/mirrors/gentoo
rsync://gd.tuwien.ac.at/opsys/linux/gentoo
ftp://sunsite.informatik.rwth-aachen.de/pub/Linux/gentoo
ftp://ftp.tu-clausthal.de/pub/linux/gentoo http://gentoo.oregonstate.edu"
LINGUAS="de fr"
MAKEOPTS="-j1"
PKGDIR="/usr/portage/packages"
PORTAGE_RSYNC_OPTS="--recursive --links --safe-links --perms --times --compress
--force --whole-file --delete --delete-after --stats --timeout=180
--exclude='/distfiles' --exclude='/local' --exclude='/packages'"
PORTAGE_TMPDIR="/var/tmp"
PORTDIR="/usr/portage"
PORTDIR_OVERLAY="/usr/local/portage"
SYNC="rsync://rsync.gentoo.org/gentoo-portage"
USE="x86 3dnow 3dnowext X Xaw3d a52 aac alsa ao aotuv apache2 apm arts asf
atlas auctex audiofile automount avi berkdb bitmap-fonts blas bonobo bzip2
cairo cdda cddb cdf cdio cdparanoia cdr cgi cli corba crypt cups curl daap dbus
devmap dga dlloader dri dvb dvd dvi dxr3 dynagraph eds effects elf emacs emboss
encode epiphany esd evo evolution exif expat fam fame ffmpeg fftw fits flac
fltk foomaticdb fortran fpx gdal gdbm geos gif gimp ginac glade gml gmp gnome
gnuplot gphoto2 gpm graphviz grass gs gsl gsm gstreamer gtk gtk2 guile hal
hardened hddtemp hdf hdf5 hlapi icq id3 imagemagick imlib innodb ipv6 isdnlog
jabber jbig jp2 jpeg jpeg2 kde kexi lame lapack latex lcms ldap libg++ libgda
libsamplerate libwww lirc lm_sensors lzo lzw mad math matroska matrox mikmod
mmx mng mod mono motif mozcalendar mp3 mp4live mpeg mpeg2 mplayer musicbrainz
mysql mysqli nautilus ncurses netcdf network nfs nls nntp nptl nptlonly
numarray numeric ocaml octave odbc ogdi ogg opengl oss pam pcre pdf pdflib perl
plotutils plugin png posix postgres pppd proj python qhull qt qt3 qt4 quicktime
readline real reflection reiserfs rhythmbox rle rrdcgi rrdtool samba sdl
session slang slp sndfile snmp sox spell spl sqlite sse sse2 ssl subtitles svg
t1lib tcltk tcpd tetex theora tidy tiff truetype truetype-fonts type1-fonts
udev unicode v4l2 video_cards_mga vorbis win32codecs wmf xemacs xext xine xml
xml2 xmlreader xmlrpc xmms xorg xpm xv xvid xvmc zlib zvbi elibc_glibc
input_devices_keyboard input_devices_mouse kernel_linux linguas_de linguas_fr
userland_GNU video_cards_vesa video_cards_fbdev"
Unset:  CTARGET, EMERGE_DEFAULT_OPTS, INSTALL_MASK, LANG, LC_ALL, LDFLAGS,
PORTAGE_RSYNC_EXTRA_OPTS

Hi Juergen,

Thanks for your report! There are a few issues here.
First and foremost there is a problem with your fortran
installation, since (as you can tell from your output)
you are using  i686-pc-linux-gnu-g77 whereas gcc-4.x only
provides i686-pc-linux-gnu-gfortran. If you would have used 
gfortran gromac's configure scripts would have bombed
out right away:)

Second, after looking at some of the fortran code in gromacs 
it looks like gromacs will not compile using gcc4.x in the near future.
The reason being the use of fortran intrinsics like 'rshift' et al.
which are currently not implemented in gfortran [1]. Hence they
are a no-go at the moment.

Maybe we should have the ebuild inherit the fortran eclass
and explicitly require g77. What do you think Donnie?

Best,
Markus

[1] http://gcc.gnu.org/ml/fortran/2006-07/msg00397.html

BTW: What is up with "gcc-4.1.1/hardened" in your emerge info. There is no
such thing! We only have "gcc-4.1.1/vanilla".

I agree that any Fortran-containing package should use the eclass.

I'd be more than happy to change the ebuild, just let me know since
you're the maintainer. I guess we best close this as CANTFIX then.

Nah I just removed myself as maintainer last night. =) Go ahead and treat this
bug how you want.

Ahh, I missed that! I'll add the fortran stuff then and probably
bump gromacs to 3.3.1 in the process.

I just committed gromacs-3.3.1 to portage cvs. This version inherits
the fortran.eclass and currently forces the use of g77 until gfortran
provides all the intrinsic functions needed by gromacs. 
I'll close this as CANTFIX for now and we can properly close it as
FIXED once the missing intrinsic functions have been implemented
in gfortran. 

Thanks,
Markus

please take a look in bug #118421. gromacs can be compiled with gcc4 and runs
fine at our site on x86.

Hi Juergen,

I saw your post! Thank you very much for it and I (or another 
sci dev) will have a look at it as soon as I find some time.
Unfortunately, there are currently a few other things I need to
get done/fixed before that.

Best,
Markus