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|
dnl Some PDB2PQR info
dnl ##########################################################################
dnl File: configure.in
dnl Purpose: configure.in script for PDB2PQR
dnl Note: For use with autoconf-2.56 and above
dnl Author: Todd Dolinsky and Nathan Baker
dnl ##########################################################################
dnl ##########################################################################
dnl 0. autoconf initialization
dnl ##########################################################################
AC_INIT([PDB2PQR], [1.8], [baker@biochem.wustl.edu])
AC_PREREQ(2.56)
AC_CONFIG_AUX_DIR(config)
AC_CANONICAL_SYSTEM
# Added by J.Ren
chmod 755 .
pwd > cwdfile
cwd=`awk -F"/" '{ print $NF }' cwdfile`
rm cwdfile
if test ${prefix} == "NONE" ; then
if test `whoami` = "root" ; then
if test -d "/var/www/html/pdb2pqr" ; then
echo "*** Warning: As root, your default --prefix is set to /var/www/html/pdb2pqr."
echo " However, we have detected that /var/www/html/pdb2pqr already exists."
echo " You may run configure again and specify a different --prefix"
echo " Do you want to overwrite this directory? (Y/N)"
read choice
while test $choice != "Y" && test $choice != "y" && test $choice != "N" && test $choice != "n"
do
echo You have entered $choice. Please enter Y or N:
read choice
done
if test $choice = "N" || test $choice = "n" ; then
echo Please run configure again and specify a different --prefix
exit 0
fi
fi
prefix=/var/www/html/pdb2pqr
else
if test -d ${HOME}/pdb2pqr ; then
echo "*** Warning: As a regular user, your default --prefix is set to ${HOME}/pdb2pqr."
echo " However, we have detected that ${HOME}/pdb2pqr already exists."
echo " You may run configure again and specify --prefix"
echo " You may run configure again and specify a different --prefix"
echo " Do you want to overwrite this directory? (Y/N)"
read choice
while test $choice != "Y" && test $choice != "y" && test $choice != "N" && test $choice != "n"
do
echo You have entered $choice. Please enter Y or N:
read choice
done
if test $choice = "N" || test $choice = "n" ; then
echo Please run configure again and specify a different --prefix
exit 0
fi
fi
prefix=${HOME}/pdb2pqr
fi
default_prefix_used="true"
fi
echo ${prefix} > prefix_test
isslash=`awk -F"/" '{print $NF}' prefix_test`
prefix=`sed -e 's|//|/|g' prefix_test`
rm -f prefix_test
if ! test -z $isslash ; then
prefix=${prefix}/
fi
AC_SUBST(prefix)
AC_PROG_INSTALL
dnl ##########################################################################
dnl 1. automake initialization (uncomment only if rebuilding Makefile.in's)
dnl ##########################################################################
dnl # THIS IS THE VERSION INFORMATION FOR THE PDB2PQR LIBRARY. ACCORDING TO
dnl # THE LIBTOOL MANUAL:
dnl # This flag accepts an argument of the form `current[:revision[:age]]'.
dnl # So, passing `-version-info 3:12:1' sets current to 3, revision to 12,
dnl # and age to 1. If either revision or age are omitted, they default to
dnl # 0. Also note that age must be less than or equal to the current
dnl # interface number. Here are a set of rules to help you update your
dnl # library version information:
dnl # 1. Start with version information of `0:0:0' for each libtool
dnl # library.
dnl # 2. Update the version information only immediately before a public
dnl # release of your software. More frequent updates are unnecessary,
dnl # and only guarantee that the current interface number gets larger
dnl # faster.
dnl # 3. If the library source code has changed at all since the last
dnl # update, then increment revision (`c:r:a' becomes `c:r+1:a').
dnl # 4. If any interfaces have been added, removed, or changed since the
dnl # last update, increment current, and set revision to 0.
dnl # 5. If any interfaces have been added since the last public release,
dnl # then increment age.
dnl # 6. If any interfaces have been removed since the last public
dnl # release, then set age to 0.
dnl #
dnl # Never try to set the interface numbers so that they correspond to the
dnl # release number of your package. This is an abuse that only fosters
dnl # misunderstanding of the purpose of library versions.
AM_INIT_AUTOMAKE(PDB2PQR, 1.8)
PDB2PQR_VERSION="1:7"
AC_SUBST(PDB2PQR_VERSION)
ACLOCAL=":";
AUTOCONF=":";
AUTOMAKE=":";
AUTOHEADER=":";
AC_SUBST(ACLOCAL)
AC_SUBST(AUTOCONF)
AC_SUBST(AUTOMAKE)
AC_SUBST(AUTOHEADER)
AC_PROG_CXX
dnl ##########################################################################
dnl 2. checks for programs
dnl ##########################################################################
AC_ARG_WITH(python,
[ --with-python=PYTHONPATH Specify Python location.],
[PYTHONPATH=$withval],
[PYTHONPATH=""])
if test "$PYTHONPATH" = "" ; then
AC_PATH_PROG(py_path, python)
if test -z "${py_path}"; then
AC_MSG_ERROR([Unable to find python! Python location can be specified with --with-python])
fi
else
py_path=$PYTHONPATH
fi
srcpath=`pwd`
sed -e 's%@srcdir@%'${srcpath}'%' tests/test/test.cpp.in > tests/test/test.cpp
sed -e 's%@srcdir@%'${srcpath}'%' tests/adv-test/test.cpp.in > tests/adv-test/test.cpp
sed -e 's%@srcdir@%'${srcpath}'%' tests/local-test/test.cpp.in > tests/local-test/test.cpp
sed -e 's%@py_path@%'${py_path}'%' tests/test/test.sh.in > tests/test/test.sh.tmp.1
sed -e 's%@py_path@%'${py_path}'%' tests/adv-test/test.sh.in > tests/adv-test/test.sh.tmp.1
sed -e 's%@py_path@%'${py_path}'%' tests/test-long/test.sh.in > tests/test-long/test.sh.tmp.1
sed -e 's%@py_path@%'${py_path}'%' tests/test-webserver/test.sh.in > tests/test-webserver/test.sh.tmp.1
sed -e 's%@py_path@%'${py_path}'%' tests/local-test/test.sh.in > tests/local-test/test.sh.tmp.1
sed -e 's%@srcdir@%'${srcpath}'%' tests/test/test.sh.tmp.1 > tests/test/test.sh
sed -e 's%@srcdir@%'${srcpath}'%' tests/adv-test/test.sh.tmp.1 > tests/adv-test/test.sh
sed -e 's%@srcdir@%'${srcpath}'%' tests/test-long/test.sh.tmp.1 > tests/test-long/test.sh
sed -e 's%@srcdir@%'${srcpath}'%' tests/test-webserver/test.sh.tmp.1 > tests/test-webserver/test.sh
sed -e 's%@srcdir@%'${srcpath}'%' tests/local-test/test.sh.tmp.1 > tests/local-test/test.sh
rm -f tests/test/test.sh.tmp.*
rm -f tests/adv-test/test.sh.tmp.*
rm -f tests/test-long/test.sh.tmp.*
rm -f tests/test-webserver/test.sh.tmp.*
rm -f tests/local-test/test.sh.tmp.*
AC_MSG_CHECKING([for python include directory])
changequote(<<, >>)dnl
PY_VERSION=`$py_path -c 'import sys; print sys.version[:3]'`
changequote([, ])dnl
PY_PREFIX=`$py_path -c 'import sys; print sys.prefix'`
if test -f $PY_PREFIX/include/python$PY_VERSION/Python.h; then
PY_HEADER="-I$PY_PREFIX/include/python$PY_VERSION"
AC_MSG_RESULT([$PY_HEADER])
else
AC_MSG_ERROR([Unable to find Python.h!])
fi
dnl # Platform specific linking flags
PY_LDFLAGS=""
PY_SHARED=""
PY_FLAGS=""
case $host_os in
linux*)
PY_SHARED="-shared";;
irix*)
PY_SHARED="-shared"
PY_LDFLAGS="-lftn -lm";;
sun|solaris**)
PY_SHARED="-G"
PY_LDFLAGS="-lF77 -lm -lM77 -lsunmath";;
darwin*)
PY_LDFLAGS="${LDFLAGS} -Wl,-framework -Wl,Python -bundle";;
esac
case $host_cpu in
x86_64*)
PY_FLAGS="-fPIC";;
esac
AC_SUBST(PY_SHARED,[$PY_SHARED])
AC_SUBST(PY_LDFLAGS,[$PY_LDFLAGS])
AC_SUBST(PY_HEADER,[$PY_HEADER])
AC_SUBST(PY_FLAGS, [$PY_FLAGS])
dnl ##########################################################################
dnl 3. Check for available subdirectories
dnl ##########################################################################
PDB2PQR_SUBDIRS=""
# B. pdb2pka
AC_MSG_CHECKING([for--disable-pdb2pka])
AC_ARG_ENABLE(pdb2pka,
[AC_HELP_STRING([--disable-pdb2pka], [Disable pdb2pka compilation])],
[ with_pdb2pka="$enableval" ],
[ with_pdb2pka="enable" ]
)
if test "$with_pdb2pka" = "yes" ; then
with_pdb2pka="enable"
elif test "$with_pdb2pka" = "no"; then
with_pdb2pka="disable"
fi
if test "$with_pdb2pka" = "enable" ; then
PY_CFLAGS="$PY_HEADER"
PACKAGE_PATH=""
PDB2PQR_SUBDIRS="$PDB2PQR_SUBDIRS pdb2pka"
AC_MSG_RESULT([no])
AC_MSG_RESULT([])
AC_MSG_RESULT([------------- Begin Processing pdb2pka Configure Options -----------])
dnl #######################
dnl Modified by Yong Huang
dnl #######################
# Test for Numeric install
AC_MSG_CHECKING([whether you defined Numeric or Numpy])
if (test -n "${NUMERIC}") ; then
AC_MSG_RESULT([yes])
NUMERIC_INC=`find ${NUMERIC} -iname "arrayobject.h" | tail -n1`
if test "$NUMERIC_INC" = ""; then
AC_MSG_ERROR([Please check your NUMERIC path. arrayobject.h cannot be found in ${NUMERIC}])
fi
NUMERIC_INC=`dirname ${NUMERIC_INC}`
NUMERIC_LIB=`find ${NUMERIC} -iname "Numeric.pth" | tail -n1`
if test "${NUMERIC_LIB}" = ""; then
AC_MSG_ERROR([Please check your NUMERIC path. Numeric.pth cannot be found in ${NUMERIC}])
fi
NUMERIC_NAME=`cat ${NUMERIC_LIB}`
NUMERIC_LIB=`dirname ${NUMERIC_LIB}`
NUMERIC_LIB=${NUMERIC_LIB}/${NUMERIC_NAME}
if test "${PACKAGE_PATH}" = ""; then
PACKAGE_PATH=${NUMERIC_LIB}
else
PACKAGE_PATH="${PACKAGE_PATH}:${NUMERIC_LIB}"
fi
PY_NUMERIC="-I${NUMERIC_INC} "
PY_CFLAGS="$PY_CFLAGS $PY_NUMERIC"
else
AC_MSG_RESULT([no])
AC_MSG_CHECKING([for Numeric include files])
if test -f $PY_PREFIX/include/python$PY_VERSION/Numeric/arrayobject.h; then
PY_NUMERIC="-I$PY_PREFIX/include/python$PY_VERSION/Numeric"
AC_MSG_RESULT([$PY_NUMERIC])
PY_CFLAGS="$PY_CFLAGS $PY_NUMERIC"
else
AC_MSG_RESULT([no])
fi
fi
# If failed, test for numpy
AC_MSG_CHECKING([whether you defined numpy])
if (test -n "${NUMPY}") ; then
AC_MSG_RESULT([yes])
NUMPY_INC=`find ${NUMPY} -iname "arrayobject.h" | tail -n1`
if test "$NUMPY_INC" = ""; then
AC_MSG_ERROR([Please check your NUMPY path. arrayobject.h cannot be found in ${NUMPY}])
fi
NUMPY_INC=`dirname ${NUMPY_INC}`
NUMPY_LIB=`find ${NUMPY} -iname "site-packages" | tail -n1`
if test "${NUMPY_LIB}" = ""; then
AC_MSG_ERROR([Please check your NUMPY path. site-packages cannot be found in ${NUMPY}])
fi
NUMPY_LIB=`dirname ${NUMPY_LIB}`
NUMPY_LIB=${NUMPY_LIB}/site-packages
if test "${PACKAGE_PATH}" = ""; then
PACKAGE_PATH=${NUMPY_LIB}
else
PACKAGE_PATH="${PACKAGE_PATH}:${NUMPY_LIB}"
fi
PY_NUMPY="-I${NUMPY_INC}"
PY_CFLAGS="$PY_CFLAGS $PY_NUMPY"
else
AC_MSG_RESULT([no])
if test "$PY_NUMERIC" = "" ; then
AC_MSG_CHECKING([for numpy includes files])
if test -f $PY_PREFIX/lib/python$PY_VERSION/site-packages/numpy/core/include/numpy/arrayobject.h; then
PY_NUMERIC="-I$PY_PREFIX/lib/python$PY_VERSION/site-packages/numpy/core/include/numpy"
AC_MSG_RESULT([$PY_NUMERIC])
PY_CFLAGS="$PY_CFLAGS $PY_NUMERIC"
elif test -f $PY_PREFIX/Extras/lib/python/numpy/core/include/numpy/arrayobject.h; then
PY_NUMERIC="-I$PY_PREFIX/Extras/lib/python/numpy/core/include/numpy"
AC_MSG_RESULT([$PY_NUMERIC])
PY_CFLAGS="$PY_CFLAGS $PY_NUMERIC"
elif test -f ${prefix}numpy/lib/python$PY_VERSION/site-packages/numpy/core/include/numpy/arrayobject.h; then
PY_NUMERIC="-I${prefix}numpy/lib/python$PY_VERSION/site-packages/numpy/core/include/numpy"
AC_MSG_RESULT([$PY_NUMERIC])
PY_CFLAGS="$PY_CFLAGS $PY_NUMERIC"
SITEPKGS=${prefix}numpy/lib/python$PY_VERSION/site-packages
if test "${PACKAGE_PATH}" = ""; then
PACKAGE_PATH=${SITEPKGS}
else
PACKAGE_PATH="${PACKAGE_PATH}:${SITEPKGS}"
fi
elif test -f /opt/rocks/lib/python$PY_VERSION/site-packages/numpy/core/include/numpy/arrayobject.h; then
AC_MSG_RESULT([$PY_NUMERIC])
PY_FLAGS="$PY_HEADER -I/opt/rocks/lib/python$PY_VERSION/site-packages/numpy/core/include/numpy"
else
$py_path ./contrib/numpy-1.1.0/setup.py install --prefix=${prefix}numpy
PY_NUMERIC="-I${prefix}numpy/lib/python$PY_VERSION/site-packages/numpy/core/include/numpy"
AC_MSG_RESULT([$PY_NUMERIC])
PY_CFLAGS="$PY_CFLAGS $PY_NUMERIC"
SITEPKGS=${prefix}numpy/lib/python$PY_VERSION/site-packages
if test "${PACKAGE_PATH}" = ""; then
PACKAGE_PATH=${SITEPKGS}
else
PACKAGE_PATH="${PACKAGE_PATH}:${SITEPKGS}"
fi
fi
fi
fi
# Test for APBS Python wrappers
#AC_MSG_CHECKING([if --with-apbsdir was used])
#AC_ARG_WITH(apbsdir,
# [AC_HELP_STRING([--with-apbsdir=PATH], [full path to top-level APBS directory])],
# [apbsdir="$with_apbsdir/tools/python"; AC_MSG_RESULT([yes])],
# [apbsdir=""; AC_MSG_RESULT([no])]
#)
#if test "$apbsdir" = ""; then
# AC_MSG_CHECKING([for APBSDIR environment variable])
# if test "$APBSDIR" != ""; then
# apbsdir="$APBSDIR/tools/python"
# AC_MSG_RESULT([yes])
# else
# AC_MSG_RESULT([no])
# apbsdir="./pdb2pka"
# fi
#fi
#AC_MSG_CHECKING([for compiled APBS Python wrappers])
#apbserror=0
#if test -f "$apbsdir/apbslib.py"; then
# if test -f "$apbsdir/_apbslib.so"; then
# AC_MSG_RESULT([$apbsdir])
# else
# AC_MSG_RESULT([no])
# apbserror=1
# fi
#else
# AC_MSG_RESULT([no])
# apbserror=1
#fi
#if test "$apbserror" -eq 1; then
# echo ""
# echo "Unable to find apbslib.py and _apbslib.so in $apbsdir!"
# echo "Compiled APBS Python wrappers are needed to use the pdb2pka functions"
# echo "Please recompile APBS with the '--enable-python' flag."
# echo ""
# AC_MSG_ERROR(["APBS Python wrappers not found!"])
#fi
#AC_SUBST(APBS_PYDIR,[$apbsdir])
AC_MSG_RESULT([------------- End Processing pdb2ka Configure Options -----------])
AC_MSG_RESULT([])
else
PY_CFLAGS="$PY_HEADER"
AC_MSG_RESULT([yes])
fi
#PY_CFLAGS="$PY_CFLAGS -I$PY_PREFIX/lib/python$PY_VERSION "
AC_SUBST(PY_CFLAGS,[$PY_CFLAGS])
AC_SUBST(PDB2PQR_SUBDIRS,[$PDB2PQR_SUBDIRS])
dnl #################
dnl Added by J Ren
dnl #################
AC_ARG_WITH(url,
[ --with-url=URL Set url for the website. Default http://fully_qualified_domain/pdb2pqr.],
[URL=$withval],
[URL="http://`uname -n`/pdb2pqr"])
echo ${URL} > url_test
isslash=`awk -F"/" '{print $NF}' url_test`
hashttp=`awk -F"http://" '{print $2}' url_test`
rm -f url_test
if ! test -z $isslash ; then
URL=${URL}/
fi
if test -z $hashttp ; then
URL=http://${URL}
fi
AC_SUBST(URL)
dnl ####################
dnl Added by W Goodman
dnl ####################
dnl ########################
dnl Modified by Yong Huang
dnl ########################
AC_ARG_WITH(max-atoms,
[ --with-max-atoms=MAX_ATOMS Sets the maximum number of atoms in a protein for non-Opal job submission. Default is 10000],
[MAX_ATOMS=$withval],
[MAX_ATOMS=10000])
HAVE_PDB2PQR_OPAL=0
AC_ARG_WITH(opal,
[ --with-opal=PDB2PQR_OPAL_URL Set url for the Opal service. Default is http://kryptonite.nbcr.net/opal2/services/pdb2pqr_1.8],
[PDB2PQR_OPAL_URL=$withval],
[PDB2PQR_OPAL_URL=""])
if test "$PDB2PQR_OPAL_URL" = "yes"; then
PDB2PQR_OPAL_URL="http://kryptonite.nbcr.net/opal2/services/pdb2pqr_1.8"
HAVE_PDB2PQR_OPAL=1
fi
if test "$PDB2PQR_OPAL_URL" != ""; then
HAVE_PDB2PQR_OPAL=1
if test -d $PY_PREFIX/lib/python$PY_VERSION/site-packages/ZSI ; then
echo ZSI is installed
else
# need to install ZSI
echo Installing ZSI. This might take a while...
cd contrib/ZSI-2.1-a1
if test `whoami` = "root"; then
$py_path setup.py install
else
zsi_install="true"
mkdir -p ${prefix}lib/python$PY_VERSION/site-packages
export PYTHONPATH=${prefix}lib/python$PY_VERSION/site-packages
$py_path setup.py install --prefix=${prefix}
if test -d ${prefix}ZSI ; then
echo ZSI is installed
else
cp -r ./build/lib/ZSI ${prefix}ZSI
fi
PYTHONPATH=""
fi
cd ../..
fi
fi
HAVE_APBS=""
APBS_OPAL_URL=""
AC_ARG_WITH(apbs,
[ --with-apbs=APBSPATH Specify APBS executable location.],
[APBSPATH=$withval],
[APBSPATH=""])
if test "$APBSPATH" != ""; then
HAVE_APBS=$APBSPATH
fi
# Passing apbslib.py and _apbslib.so files from APBS to pdb2pka
echo ${HAVE_APBS} > HAVE_APBS_FILE
HAVE_APBS_PYTHON_DIR=`sed -e 's|bin/apbs|share/tools/python|g' HAVE_APBS_FILE`
HAVE_APBS_MESH_DIR=`sed -e 's|bin/apbs|share/tools/mesh|g' HAVE_APBS_FILE`
if test -e ${HAVE_APBS_PYTHON_DIR}/apbslib.py; then
cp ${HAVE_APBS_PYTHON_DIR}/apbslib.py ./pdb2pka
fi
if test -e ${HAVE_APBS_PYTHON_DIR}/_apbslib.so; then
cp ${HAVE_APBS_PYTHON_DIR}/_apbslib.so ./pdb2pka
fi
if test -e ${HAVE_APBS_MESH_DIR}/smooth; then
cp ${HAVE_APBS_MESH_DIR}/smooth ./pdb2pka
fi
rm -f HAVE_APBS_FILE
AC_ARG_WITH(apbs-opal,
[ --with-apbs-opal=APBS_OPAL_URL Specify APBS Opal url. Default is http://kryptonite.nbcr.net/opal2/services/apbs_1.3],
[APBS_OPAL_URL=$withval],
[APBS_OPAL_URL=""])
if test "$APBS_OPAL_URL" = "yes"; then
APBS_OPAL_URL="http://kryptonite.nbcr.net/opal2/services/apbs_1.3"
DEFAULT_APBS_OPAL_URL="1"
else
DEFAULT_APBS_OPAL_URL="0"
fi
if test "$PDB2PQR_OPAL_URL" = "" && test "$APBS_OPAL_URL" != ""; then
if test -d $PY_PREFIX/lib/python$PY_VERSION/site-packages/ZSI ; then
echo ZSI is installed
else
# need to install ZSI
echo Installing ZSI. This might take a while...
cd contrib/ZSI-2.1-a1
if test `whoami` = "root"; then
$py_path setup.py install
else
zsi_install="true"
mkdir -p ${prefix}lib/python$PY_VERSION/site-packages
export PYTHONPATH=${prefix}lib/python$PY_VERSION/site-packages
$py_path setup.py install --prefix=${prefix}
if test -d ${prefix}ZSI ; then
echo ZSI is installed
else
cp -r ./build/lib/ZSI ${prefix}ZSI
fi
PYTHONPATH=""
fi
cd ../..
fi
fi
# Add tmp/ if it doesn't already exist
AC_CHECK_FILE(tmp/, hastmp="yes", hastmp="no")
if test "${hastmp}" = "no"; then
mkdir tmp
fi
cp .htaccess tmp
chmod 777 tmp
chmod o+x tests/test/test.sh
chmod u+x tests/test/test.sh
chmod o+x tests/adv-test/test.sh
chmod u+x tests/adv-test/test.sh
chmod o+x tests/test-long/test.sh
chmod u+x tests/test-long/test.sh
chmod o+x tests/test-webserver/test.sh
chmod u+x tests/test-webserver/test.sh
chmod o+x tests/local-test/test.sh
chmod u+x tests/local-test/test.sh
if test "${prefix}" != `pwd` ; then
website_install=${URL}
pdb2pqr_cgi_install=${URL}pdb2pqr.cgi
echo ${website_install} > website_install_file
echo ${prefix} > prefix_file
last_website_install=`awk -F"/" '{print $(NF-1)}' website_install_file`
last_prefix=`awk -F"/" '{print $(NF-1)}' prefix_file`
rm -f website_install_file prefix_file
fi
#if test "${prefix}" != `pwd` ; then
# if test "${default_prefix_used}" = "true" ; then
# website_install=${URL}
# pdb2pqr_cgi_install=${URL}pdb2pqr.cgi
# else
# echo ${prefix} > install_dir_file
# lastdir=`awk -F"/" '{print $NF}' install_dir_file`
# if test -z $lastdir; then
# last=`awk -F"/" '{print NF-1}' install_dir_file`
# lastdir=`awk -F"/" '{print $(NF-1)}' install_dir_file`
# fi
# rm -f install_dir_file
# website_install=${URL}$lastdir
# pdb2pqr_cgi_install=${URL}$lastdir/pdb2pqr.cgi
# fi
#fi
dnl #####################
dnl Added by Yong Huang
dnl #####################
# Create pdb2pqr.py, main.py and main.cgi; handle the shebangs
sed -e 's%@WHICHPYTHON@%'${py_path}'%' pdb2pqr.py.in > pdb2pqr.py
chmod 755 pdb2pqr.py
cp pdb2pqr.py pdb2pqr.cgi
chmod -x apbs_cgi.py
sed -e 's%@WHICHPYTHON@%'${py_path}'%' apbs_cgi.py > apbs_cgi.cgi
chmod 755 apbs_cgi.cgi
sed -e 's%@WHICHPYTHON@%'${py_path}'%' visualize.py > visualize.cgi
chmod 755 visualize.cgi
#echo ${srcpath} > srcpathtemp1
#sed 's/\//\\\//g' srcpathtemp1 > srcpathtemp2
#srcpathvar=`cat srcpathtemp2`
#rm srcpathtemp1 srcpathtemp2
#sed -e 's/\@srcpath\@/'${srcpathvar}'/g' src/server.py.in > src/server.py.in.tmp.1
#if test "${prefix}" != `pwd` ; then
#echo ${prefix} > install_dir_temp1
#sed 's/\//\\\//g' install_dir_temp1 > install_dir_temp2
#install_dir_var=`cat install_dir_temp2`
#rm install_dir_temp1 install_dir_temp2
# sed -e 's/\@srcpath\@/'${install_dir_var}'/g' src/server.py.in > src/server.py.install.tmp.1
#fi
echo ${prefix} > install_dir_temp1
sed 's/\//\\\//g' install_dir_temp1 > install_dir_temp2
install_dir_var=`cat install_dir_temp2`
rm install_dir_temp1 install_dir_temp2
sed -e 's/\@srcpath\@/'${install_dir_var}'/g' src/server.py.in > src/server.py.in.tmp.1
AC_SUBST(install_dir_var)
website=${URL}
echo $website > websitetemp1
sed 's/\//\\\//g' websitetemp1 > websitetemp2
websitevar=`cat websitetemp2`
rm websitetemp1 websitetemp2
sed -e 's/\@website\@/'${websitevar}'/g' src/server.py.in.tmp.1 > src/server.py.in.tmp.2
mv src/server.py.in.tmp.2 src/server.py
rm -rf src/server.py.in.tmp.*
#if test "${prefix}" != `pwd` ; then
# echo ${website_install} > website_install_temp1
# sed 's/\//\\\//g' website_install_temp1 > website_install_temp2
# website_install_var=`cat website_install_temp2`
# rm website_install_temp1 website_install_temp2
# sed -e 's/\@website\@/'${website_install_var}'/g' src/server.py.install.tmp.1 > src/server.py.install.tmp.2
# cp src/server.py.install.tmp.2 src/server.py.install
# rm -rf src/server.py.install.tmp.*
#fi
AC_SUBST(website_install_var)
pdb2pqr_cgi=${URL}pdb2pqr.cgi
echo $pdb2pqr_cgi > actiontemp1
sed 's/\//\\\//g' actiontemp1 > actiontemp2
actionvar=`cat actiontemp2`
rm actiontemp1 actiontemp2
if test -z "${PDB2PQR_OPAL_URL}" ; then
sed -e 's/\@action\@/'${actionvar}'/g' \
-e '/@WITHOPAL@/d' \
-e 's%@MAXATOMS@%'${MAX_ATOMS}'%' \
-e '/@WITHOUTOPAL@/,/@WITHOUTOPAL@/d' html/server.html.in > html/server.html.tmp
sed -e 's/\@website\@/'${websitevar}'/g' html/server.html.tmp > html/server.html.tmp.2
cp html/server.html.tmp.2 html/server.html
rm html/server.html.tmp*
else
sed -e 's/\@action\@/'${actionvar}'/g' \
-e '/@WITHOPAL@/,/@WITHOPAL@/d' \
-e 's/\@website\@/'${websitevar}'/g' \
-e '/@WITHOUTOPAL@/d' html/server.html.in > html/server.html
fi
cp html/server.html index.html
if test "${prefix}" != `pwd` ; then
pdb2pqr_cgi_install=${URL}pdb2pqr.cgi
echo $pdb2pqr_cgi_install > action_install_temp1
sed 's/\//\\\//g' action_install_temp1 > action_install_temp2
action_install_var=`cat action_install_temp2`
rm action_install_temp1 action_install_temp2
# sed -e 's/\@action\@/'${action_install_var}'/g' html/server.html.in > html/server.html.install.tmp
# sed -e 's/\@website\@/'${website_install_var}'/g' html/server.html.install.tmp > html/server.html.install.tmp.2
# cp html/server.html.install.tmp.2 html/server.html.install
# rm html/server.html.install.tmp*
fi
AC_SUBST(action_install_var)
sed -e 's%@PDB2PQR_OPAL_URL@%'${PDB2PQR_OPAL_URL}'%' \
-e 's%@WHICHPYTHON@%'${py_path}'%' \
-e 's%@HAVE_PDB2PQR_OPAL@%'${HAVE_PDB2PQR_OPAL}'%' querystatus.py > querystatus.cgi
sed -e 's%@MAXATOMS@%'${MAX_ATOMS}'%' \
-e 's%@PACKAGE_PATH@%'${PACKAGE_PATH}'%' \
-e 's%@PDB2PQR_OPAL_URL@%'${PDB2PQR_OPAL_URL}'%' \
-e 's%@HAVE_PDB2PQR_OPAL@%'${HAVE_PDB2PQR_OPAL}'%' \
-e 's%@HAVE_APBS@%'${HAVE_APBS}'%' \
-e 's%@APBS_OPAL_URL@%'${APBS_OPAL_URL}'%' \
-e 's%@DEFAULT_APBS_OPAL_URL@%'${DEFAULT_APBS_OPAL_URL}'%' \
-e 's%@website@%'${website}'%' \
-e 's%@srcpath@%'${srcpath}'%' \
-e 's%@INSTALLDIR@%'${prefix}'%' src/aconf.py.in > src/aconf.py
#chmod 755 pdb2pqr-opal.cgi
chmod 755 querystatus.cgi
AC_SUBST(with_pdb2pka)
PDB2PQR_SUBDIRS="${PDB2PQR_SUBDIRS} tests"
# Checking for OpenBabel
echo
echo "checking for OpenBabel..."
r=`which babel`
if test ! -z $r; then
echo "OpenBabel found in $r, you can use OpenBabel to generate MOL2 files."
else
echo "OpenBabel not found."
fi
echo
dnl ##########################################################################
dnl 11. generate the makefiles
dnl ##########################################################################
AC_MSG_RESULT([------------- End Processing PDB2PQR Configure Options -----------])
AC_MSG_RESULT([])
if test -n "${PDB2PQR_SUBDIRS}"; then
AC_OUTPUT([
Makefile
pdb2pka/Makefile
pdb2pka/substruct/Makefile
tests/Makefile
tests/test/Makefile
tests/adv-test/Makefile
tests/test-long/Makefile
tests/test-webserver/Makefile
tests/local-test/Makefile
])
echo
echo ---------------------------------------------------------------------------------------
AC_MSG_RESULT([Please run "make" followed by "make install" to complete the installation. You may also run "make test" or "make adv-test". ])
echo
fi
dnl ##################################
dnl Print out configuration parameters
dnl ##################################
USER=`whoami`
echo " ========================"
echo " Configuration Parameters"
echo " ========================"
echo
echo "User ID: ${USER}"
echo "Version: ${VERSION}"
echo "Install Dir: ${prefix}"
echo "pdb2pka: ${with_pdb2pka}"
echo "PY_CFLAGS: ${PY_CFLAGS}"
echo
#echo " ---------------"
#echo " Based on SRCDIR"
#echo " ---------------"
#echo
#echo "Note: You cannot access the server if SRCPATH is not a web viewable directory"
#echo
#echo "SRCPATH (location of your source directory): ${srcpath}"
#echo "WEBSITE (path to the website directory): ${website}"
#echo "PDB2PQR_CGI (path to pdb2pqr.cgi): ${pdb2pqr_cgi}"
#echo
#echo " ------------------------------"
#echo " Based on --preifx / INSTALLDIR"
#echo " ------------------------------"
#echo
#echo "Note: You cannot access the server if INSTALLDIR is not a web viewable directory"
#echo
if test $prefix = `pwd` ; then
echo "WEBSITE (path to the website directory): ${website}"
echo " (WEBSITE can be changed with the --with-url option)"
echo "PDB2PQR_CGI (path to pdb2pqr.cgi): ${pdb2pqr_cgi}"
echo "PDB2PQR_OPAL_URL (url to the pdb2pqr opal service): ${PDB2PQR_OPAL_URL}"
else
echo "WEBSITE (path to the website directory): ${website_install}"
echo " (WEBSITE can be changed with the --with-url option)"
echo "PDB2PQR_CGI (path to pdb2pqr.cgi): ${pdb2pqr_cgi_install}"
if test "$PDB2PQR_OPAL_URL" = ""; then
echo "PDB2PQR jobs will be forked on the server"
echo "MAX_ATOMS (max number of atoms in a protein): ${MAX_ATOMS}"
else
echo "PDB2PQR_OPAL_URL (url to the pdb2pqr opal service): ${PDB2PQR_OPAL_URL}"
fi
echo
fi
AC_SUBST(last_website_install,[$last_website_install])
AC_SUBST(last_prefix,[$last_prefix])
echo ${prefix} > prefix_file
first=`awk -F"/" '{ print $2 }' prefix_file`
second=`awk -F"/" '{ print $3 }' prefix_file`
third=`awk -F"/" '{ print $4 }' prefix_file`
rm -f prefix_file
if test `whoami` = "root" ; then
if test ${first} != "var" || test ${second} != "www" || test ${third} != "html" ; then
echo
echo "*** Warning: The install directory is not inside /var/www/html/"
echo " A symbolic link will be created when you run \"make install\""
elif test "${last_website_install}" != "${last_prefix}" ; then
echo
echo "*** Warning: The last directory of your prefix = ${last_prefix}"
echo " The last directory of your URL = ${last_website_install}"
echo " It's recommended that they are the same. You may run configure again with a different set of --prefix and --with-url"
echo " Or a symbolic link will be created when you run \"make install\", and you will be able to run the server from the URL you specified, but not the URL based on --prefix"
fi
else
echo As a regular user, you must ask your system administrator to create a symbolic link that enables you to view $URL after you run \"make install\"
fi
if test "$zsi_install" = "true" ; then
echo Since you are not root, ZSI have been installed in your installation directory
fi
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