-
Notifications
You must be signed in to change notification settings - Fork 24
/
.build.sh
executable file
·165 lines (144 loc) · 6.85 KB
/
.build.sh
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
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
#!/bin/bash
# echo "==================================== WHICH GCC ==================================== "
# which gcc
# ls /usr/local/bin/gcc*
# Install prereqs with INSTALL_PREREQS=1 or turn off with INSTALL_PREREQS=0
export INSTALL_PREREQS=1
# Setup tests for APBS with TEST_APBS=1 or turn off with TEST_APBS=0
export TEST_APBS=0
# Create ZIP archive for APBS with PACKAGE_APBS=1 or turn off with PACKAGE_APBS=0
export PACKAGE_APBS=0
# Configure and Build pybind11 with BUILD_PYBIND=1 or turn off with BUILD_PYBIND=0
export BUILD_PYBIND=0
#echo "==================================== WHICH GCC ==================================== "
#ostype="$(uname -s)"
#case "${ostype}" in
# # NOTE: clang on Github Actions cannot fine Accelerate Framework
# # so you will get errors about not being able to find xerbla_
# # Darwin*) export CC=clang; export CXX=clang++;;
# Darwin*) export CC=gcc-9; export CXX=g++-9;;# export CMAKE_C_FLAGS="-Wl,-rpath=@executable_path/../lib "; export CMAKE_CXX_FLAGS="-Wl,-rpath=@executable_path/../lib ";;
# Linux*) export CC=gcc-9; export CXX=g++-9;;
#esac
#export CMAKE_C_COMPILER=$CC
#export CMAKE_CXX_COMPILER=$CXX
#export CMAKE_C_LINK_EXECUTABLE=$CC
#export CMAKE_CXX_LINK_EXECUTABLE=$CXX
export SRC_DIR="$( cd "$( dirname "${BASH_SOURCE[0]}" )" >/dev/null 2>&1 && pwd )"
export COVERAGE="-g -O0 -fprofile-arcs -ftest-coverage"
export COVERAGE=""
: ${BUILD_DIR=$SRC_DIR/build}
: ${INSTALL_DIR=$HOME/apbs}
export PATH=$INSTALL_DIR:$PATH
echo "Build dir: ${BUILD_DIR}"
echo "Install dir: ${INSTALL_DIR}"
# set variables only if they're not already set
: ${RELEASE_TYPE:=Release}
: ${BLA_VENDOR:=OpenBLAS}
: ${BUILD_DOC:=ON}
: ${BUILD_SHARED_LIBS:=OFF}
: ${BUILD_TOOLS:=ON}
: ${RELEASE_TYPE:=Release}
: ${ENABLE_PYGBE:=ON}
: ${ENABLE_BEM:=ON}
: ${ENABLE_GEOFLOW:=ON}
: ${FETK_VERSION:="57195e55351e04ce6ee0ef56a143c996a9aee7e2"}
: ${ENABLE_iAPBS:=ON}
: ${ENABLE_OPENMP:=OFF}
: ${ENABLE_PBAM:=OFF}
: ${ENABLE_PBSAM:=OFF}
: ${ENABLE_PYTHON:=OFF}
: ${ENABLE_TESTS:=ON}
: ${GET_NanoShaper:=ON}
: ${PYTHON_VERSION:="3.10"}
echo "==================================== WHERE AM I ==================================== "
pwd
echo "==================================== VERSIONS: ==================================== "
echo "==================================== PYTHON VERSION"
python -c "import sys; print(sys.version)"
echo "==================================== CMAKE VERSION"
cmake --version
#echo "==================================== C Compiler VERSION"
#$CMAKE_C_COMPILER --version
#echo "==================================== C++ Compiler VERSION"
#$CMAKE_CXX_COMPILER --version
echo "==================================== SWIG VERSION"
swig -version
if [ "${BUILD_PYBIND}" -ne "0" ]; then
echo "==================================== Install Python requirements ==================================== "
python -m pip install -U pip
python -m pip install -U pytest
python -m pip install -U virtualenv
python -m pip install -U numpy
python -m pip install -r requirements.txt
fi
# Just build APBS for now
echo "==================================== PWD FOR TOP DIR ==================================== "
pwd
echo "==================================== CLEAN =============================================== "
#rm -rf $BUILD_DIR || exit 1
#rm -rf $INSTALL_DIR || exit 1
mkdir -p $BUILD_DIR || exit 1
#mkdir -p $INSTALL_DIR || exit 1
echo "==================================== SETUP ENV =============================================== "
export LD_LIBRARY_PATH=$HOME/apbs/lib:${LD_LIBRARY_PATH}
export PATH=$HOME/apbs/bin:${PATH}
if [ "${BUILD_PYBIND}" -ne "0" ]; then
echo "==================================== PYBIND =============================================== "
pushd $(pwd)/externals/pybind11
[ -d build ] || mkdir -p build
[ -d install ] || mkdir -p install
pushd build
cmake \
-DDOWNLOAD_CATCH=ON \
-DPYBIND11_TEST=OFF \
-DCMAKE_INSTALL_PREFIX=$(python3 -c "import os,sys; print(os.path.realpath(sys.argv[1]))" ../install) \
..
make -j install
popd
export pybind11_DIR=$(python3 -c "import os,sys; print(os.path.realpath(sys.argv[1]))" ./install)
echo "pybind11_DIR=${pybind11_DIR}"
popd
fi
echo "==================================== CONFIG =============================================== "
cd $BUILD_DIR || exit 1
#cmake \
cmake -S .. -B $BUILD_DIR \
-DBLA_VENDOR=${BLA_VENDOR} \
-DBUILD_DOC=${BUILD_DOC} \
-DBUILD_SHARED_LIBS=${BUILD_SHARED_LIBS} \
-DBUILD_TOOLS=${BUILD_TOOLS} \
-DCMAKE_C_FLAGS="${CMAKE_C_FLAGS} ${COVERAGE}" \
-DCMAKE_CXX_FLAGS="${CMAKE_CXX_FLAGS} ${COVERAGE}" \
-DCMAKE_BUILD_TYPE=${RELEASE_TYPE} \
-DCMAKE_INSTALL_INCLUDEDIR="include" \
-DCMAKE_INSTALL_PREFIX=$INSTALL_DIR \
-DCMAKE_PREFIX_PATH=${CMAKE_PREFIX_PATH} \
-DENABLE_PYGBE=${ENABLE_PYGBE} \
-DENABLE_BEM=${ENABLE_BEM} \
-DENABLE_GEOFLOW=${ENABLE_GEOFLOW} \
-DENABLE_iAPBS=${ENABLE_iAPBS} \
-DENABLE_OPENMP=${ENABLE_OPENMP} \
-DENABLE_PBAM=${ENABLE_PBAM} \
-DENABLE_PBSAM=${ENABLE_PBSAM} \
-DENABLE_PYTHON=${ENABLE_PYBIND} \
-DENABLE_TESTS=${ENABLE_TESTS} \
-DFETK_VERSION="${FETK_VERSION}" \
-DPYTHON_VERSION="${PYTHON_VERSION}" \
.. || exit 1
echo "==================================== BUILD =============================================== "
make -j install || exit 1
export PATH="$INSTALL_DIR/bin:$PATH"
if [ "${TEST_APBS}" -ne "0" ]; then
# Run a single test if it fails using the following:
# echo "==================================== VERBOSE TEST ======================================= "
# ctest -C Release -VV -R protein-rna
echo "==================================== TEST =============================================== "
ctest -C Release --output-on-failure #|| exit 1
fi
if [ "${PACKAGE_APBS}" -ne "0" ]; then
echo "==================================== PACKAGE ============================================ "
cpack -C Release -G ZIP || exit 1
unzip -l APBS*.zip
mkdir -p $HOME/artifacts
mv APBS*.zip $HOME/artifacts
fi