1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
|
#!/bin/bash
DATESTRING=`date +%d_%m_%y`
DIRNAME="RDKitBuild_"$DATESTRING
TMPDIR=/scratch
export BASE=$TMPDIR/$DIRNAME
#MAILIT=/home/glandrum/RDKit/Scripts/MailResults.py
export RDBASE=$BASE/RDKit
export BOOSTBASE="boost_1_37_0"
export BOOSTHOME="/usr/local/src/$BOOSTBASE"
export BOOST_BUILD_PATH=$BOOSTHOME
export BJAM="/usr/local/bin/bjam"
export PYTHONPATH="$RDBASE"
export PATH="$RDBASE/bin:$PATH"
export LD_LIBRARY_PATH="$RDBASE/bin:/usr/local/lib"
LOGFILE=$BASE"/build_log_"$DATESTRING
export RD_USESQLLITE="1"
DBLOADER=sqlite3
# ------------------------- -------------------------
#
# Setup
#
# ------------------------- -------------------------
rm -rf $TMPDIR/RDKitBuild_*`date +"_%m_%y"`
if ! rm -rf $BASE; then
echo "CANNOT CLEANUP";
exit -1
fi
if ! mkdir $BASE; then
echo "CANNOT MAKE DIRECTORY";
exit -1
fi
if ! cd $BASE; then
echo "CANNOT CD";
exit -1
fi
echo "Running in directory" $DIRNAME > $LOGFILE
# ------------------------- -------------------------
#
# Pull
#
# ------------------------- -------------------------
echo >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
echo "**** PULL ****" >> $LOGFILE 2>&1
echo "**** PULL ****"
echo >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
SVNROOT=https://rdkit.svn.sourceforge.net/svnroot/rdkit/trunk
svn checkout $SVNROOT RDKit &> /dev/null
if test -f $RDBASE/Data/RDTests.sqlt; then
rm $RDBASE/Data/RDTests.sqlt
fi
$DBLOADER $RDBASE/Data/RDTests.sqlt < $RDBASE/rdkit/Dbase/test_data/RDTests.sqlite
if test -f $RDBASE/Data/RDData.sqlt; then
rm $RDBASE/Data/RDData.sqlt
fi
$DBLOADER $RDBASE/Data/RDData.sqlt < $RDBASE/rdkit/Dbase/test_data/RDData.sqlite
# ------------------------- -------------------------
#
# Build
#
# ------------------------- -------------------------
echo >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
echo "**** BUILD ****" >> $LOGFILE 2>&1
echo "**** BUILD ****"
echo >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
cd $RDBASE/Code
$BJAM -j2 >>$LOGFILE 2>&1
# ------------------------- -------------------------
#
# Test
#
# ------------------------- -------------------------
echo >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
echo "**** TEST ****" >> $LOGFILE 2>&1
echo "**** TEST ****"
echo >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
cd $RDBASE/Code
python $RDBASE/rdkit/TestRunner.py test_list.py >> $LOGFILE 2>&1
cd $RDBASE/rdkit
python $RDBASE/rdkit/TestRunner.py test_list.py >> $LOGFILE 2>&1
cd $RDBASE/Projects
python $RDBASE/rdkit/TestRunner.py test_list.py >> $LOGFILE 2>&1
# ------------------------- -------------------------
#
# Generate documentation
#
# ------------------------- -------------------------
echo >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
echo "**** DOCS ****" >> $LOGFILE 2>&1
echo "**** DOCS ****"
echo >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
cd $RDBASE/Code
/usr/bin/doxygen doxygen.config > /dev/null 2>&1
cd $RDBASE/rdkit
epydoc --config epydoc.config > /dev/null 2>&1
# ------------------------- -------------------------
#
# Report
#
# ------------------------- -------------------------
echo >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
echo "**** TEST FAILURES ****" >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
echo >> $LOGFILE 2>&1
grep -n "Failed [0-9]" $LOGFILE >> $LOGFILE.summary
grep -n "Failed [0-9]" $LOGFILE >> $LOGFILE
gzip -9 $LOGFILE
#$MAILIT $LOGFILE.gz $LOGFILE.summary
#$RDBASE/Scripts/AddIssue.py $LOGFILE.summary "user=NightlyBuild" "tracker_home=/home/roundup/trackers/RDTrack" "title=Test Failures: $DATESTRING" "priority=bug"
|
