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
|
#!/bin/bash -e
# author: Ole Schuett
# shellcheck disable=SC1091
source /opt/cp2k-toolchain/install/setup
echo -e "\n========== Compiling CP2K =========="
cd /opt/cp2k
echo -n "Compiling cp2k... "
if make -j VERSION=psmp &> make.out; then
echo "done."
else
echo -e "failed.\n\n"
tail -n 100 make.out
mkdir -p /workspace/artifacts/
cp make.out /workspace/artifacts/
echo -e "\nSummary: Compilation failed."
echo -e "Status: FAILED\n"
exit 0
fi
echo -e "\n========== Installing Dependencies =========="
apt-get update -qq
apt-get install -qq --no-install-recommends \
default-jre-headless \
libsaxonhe-java \
python3 \
python3-pip \
python3-venv
rm -rf /var/lib/apt/lists/*
# Create and activate a virtual environment for Python packages.
python3 -m venv /opt/venv
export PATH="/opt/venv/bin:$PATH"
# install python packages
pip3 install -r /opt/cp2k/docs/requirements.txt
echo -e "\n========== Generating Manual =========="
mkdir -p /workspace/artifacts/manual
cd /workspace/artifacts/manual
/opt/cp2k/exe/local/cp2k.psmp --version
/opt/cp2k/exe/local/cp2k.psmp --xml
set +e # disable error trapping for remainder of script
(
set -e # abort if error is encountered
/opt/cp2k/docs/generate_input_reference.py ./cp2k_input.xml
echo ""
sphinx-build /opt/cp2k/docs/ /workspace/artifacts/manual -W -n --keep-going --jobs 16
/opt/cp2k/docs/fix_github_links.py /workspace/artifacts/manual
rm -rf /workspace/artifacts/manual/.doctrees
)
EXIT_CODE=$?
if ((EXIT_CODE)); then
echo -e "\nSummary: Sphinx build failed"
echo -e "Status: FAILED\n"
exit
fi
echo -e "\n========== Generating VIM Plugin =========="
(
set -e # abort if error is encountered
sed -i 's/\x0/?/g' cp2k_input.xml # replace null bytes which would crash saxon
SAXON="java -jar /usr/share/java/Saxon-HE.jar"
$SAXON -o:cp2k.vim ./cp2k_input.xml /opt/cp2k/tools/input_editing/vim/vim.xsl
)
EXIT_CODE=$?
if ((EXIT_CODE)); then
echo -e "\nSummary: Saxon run failed."
echo -e "Status: FAILED\n"
exit
fi
echo -e "\nSummary: Manual generation works fine."
echo -e "Status: OK\n"
#EOF
|
