Hi,
In a second of inspiration I found why installation failed. It may well
have to do with copying issues as pointed out by Robert: OSX does weird
things with NFS filesystems and I was trying to install APBS in one such.
I found a way to get APBS + iABPS + sander.APBS. I am writing here the
commands I used in case that is useful to someone:
mkdir iapbs_build # somewhere in a local disk!!!
cd iapbs_build
export APBS_PREFIX=`pwd`
export APBS_SRC=$APBS_PREFIX/apbs
export APBS_LIB=$APBS_PREFIX/lib
svn co
https://apbs.svn.sourceforge.net/svnroot/apbs/trunk apbs
cd $APBS_SRC
CC=gcc-4.6 CXX=g++-4.6 FC=gfortran F77=gfortran ./configure \
--prefix=${APBS_PREFIX} --enable-abps-quiet --disable-openmp
make
make install
cd $APBS_PREFIX/apbs/contrib/iapbs
./setup.sh # you need pretty new autoconf/automake/libtool combo
CC=gcc-4.6 CXX=g++-4.6 FC=gfortran F77=gfortran ./configure \
--prefix=${APBS_PREFIX} --disable-openmp
make
make install
cd $AMBERHOME
./configure -macAccelerate intel # need it if previous install parallel
cd $AMBERHOME/src/sander/
make clean
make -e AMBERBUILDFLAGS="-DAPBS -lz" -e APBS_LIBDIR=$APBS_PREFIX/lib \
APBS_LIBS="-liapbs -lapbsmainroutines -lapbs -lmaloc" sander.APBS
CAVEAT: I have not tested thoroughly the compiled sander.APBS binary
Best regards,
--
Miguel Ortiz Lombardía
Architecture et Fonction des Macromolécules Biologiques (UMR7257)
CNRS, Aix-Marseille Université
Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
Tel: +33(0) 491 82 55 93
Fax: +33(0) 491 26 67 20
mailto:miguel.ortiz-lombardia.afmb.univ-mrs.fr
http://www.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia
Le 05/12/12 08:13, Miguel Ortiz Lombardia a écrit :
> Hi Robert,
>
> Thank you for your email. I'm not sure that the copy operation failed,
> unless we are talking about a different copying... The egg file is
> actually copied to:
>
> /a/progs/simu/apbs/lib/python2.6/site-packages/ZSI-2.1_a1-py2.6.egg
>
> I don't know what action should follow after that which could give a
> "operation not supported" error. If I run easy_install on that egg file
> it gets installed (but in /usr/local not where I wanted it)
>
> The machine where I am trying to install it is a Mac running OSX Snow
> Leopard Server (10.6.8)
>
> Thank you for the news on iAPBS, that will be great.
>
> Best regards,
>
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Received on Thu Dec 06 2012 - 08:30:02 PST
