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root/freemol/trunk/src/pdb2pqr/configure
Revision: 152
Committed: Fri Jan 25 11:49:02 2013 UTC (6 years, 6 months ago) by speleo3
File size: 1342 byte(s)
Log Message:
Update APBS and PDB2PQR
- APBS-1.4
- pdb2pqr-1.8
- libpy/freemol/apbs.py: search with and without .exe suffix

Line User Rev File contents
1 wdelano 51 #!/bin/sh
2    
3     # would do any platform-specific configuration here...
4    
5 tjod 54 if [ -z "$OSTYPE" ]; then
6     OSTYPE=`uname -s`
7     fi
8    
9    
10 wdelano 51 if ! [ $FREEMOL ]; then
11     echo "FREEMOL variable must be defined"
12     exit
13     fi
14    
15     echo "Will install into " $FREEMOL
16 speleo3 152 export PDB2PQR_VERSION=pdb2pqr-1.8
17     tarfile=${PDB2PQR_VERSION}.tar.gz
18 wdelano 51
19 speleo3 152 cd src
20 wdelano 51
21 speleo3 152 if [ ! -e $tarfile ]; then
22     echo "Please download $tarfile from"
23     echo
24     echo " http://www.poissonboltzmann.org/pdb2pqr"
25     echo
26     echo "and put it into"
27     echo
28     echo " $PWD"
29     echo
30     exit 1
31     fi
32    
33     tar zxf $tarfile
34     cd ..
35    
36 tjod 57 echo "OS=$OSTYPE"
37 tjod 54 case "$OSTYPE" in
38 tjod 57 *inux*)
39 tjod 54 #echo "linux"
40 tjod 56 INSTALL="install -D"
41 tjod 54 ;;
42     darwin*)
43     #echo "darwin"
44 tjod 56 INSTALL="install"
45 tjod 54 ;;
46     mingw*)
47     #echo "mingw"
48 tjod 56 INSTALL="install -D"
49 tjod 54 ;;
50     msys*)
51     #echo "msys"
52 tjod 56 INSTALL="install -D"
53 tjod 57 cp src/Makefile.in.mingw src/$PDB2PQR_VERSION/Makefile.in
54     cp src/configure.mingw src/$PDB2PQR_VERSION/configure
55 tjod 54 if [ -e c:/python25/python.exe ] ; then
56     pythonpath=--with-python="/c/python25/python"
57     fi
58     ;;
59     cygwin*)
60     #echo "cygwin"
61 tjod 56 INSTALL="install -D"
62 tjod 54 ;;
63     esac
64    
65 tjod 57 echo "INSTALL=$INSTALL"
66 tjod 56 echo "PDB2PQR_SRC=src/$PDB2PQR_VERSION" > Makefile
67     echo "INSTALL=$INSTALL" >> Makefile
68     cat Makefile.in >>Makefile
69    
70     cd src/$PDB2PQR_VERSION
71 tjod 54 ./configure --prefix=${FREEMOL}/share/pdb2pqr --disable-propka --disable-pdb2pka $pythonpath

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