mirror of
https://github.com/cp2k/cp2k.git
synced 2026-07-29 06:35:28 -04:00
Format all shell scripts
This commit is contained in:
Ole Schütt
Ole Schütt
parent
2e2218d9a9
commit
d59a3ad777
78 changed files with 4489 additions and 4475 deletions
|
|
@ -3,63 +3,63 @@
|
|||
# author: Ole Schuett
|
||||
|
||||
set -eo pipefail
|
||||
ulimit -c 0 # Disable core dumps as they can take a very long time to write.
|
||||
ulimit -c 0 # Disable core dumps as they can take a very long time to write.
|
||||
|
||||
# Calculate checksums of critical files.
|
||||
CHECKSUMS=/workspace/checksums.md5
|
||||
shopt -s nullglob # ignore missing files
|
||||
shopt -s nullglob # ignore missing files
|
||||
md5sum /workspace/cp2k/Makefile \
|
||||
/workspace/cp2k/tools/build_utils/* \
|
||||
/workspace/cp2k/arch/local* \
|
||||
> $CHECKSUMS
|
||||
/workspace/cp2k/tools/build_utils/* \
|
||||
/workspace/cp2k/arch/local* \
|
||||
> $CHECKSUMS
|
||||
shopt -u nullglob
|
||||
|
||||
# Get cp2k sources.
|
||||
if [ -n "${GIT_REF}" ]; then
|
||||
echo -e "\n========== Fetching Git Commit =========="
|
||||
cd /workspace/cp2k
|
||||
git fetch --quiet origin "${GIT_BRANCH}"
|
||||
git reset --quiet --hard "${GIT_REF}"
|
||||
git submodule update --init --recursive
|
||||
git --no-pager log -1 --pretty='%nCommitSHA: %H%nCommitTime: %ci%nCommitAuthor: %an%nCommitSubject: %s%n'
|
||||
echo -e "\n========== Fetching Git Commit =========="
|
||||
cd /workspace/cp2k
|
||||
git fetch --quiet origin "${GIT_BRANCH}"
|
||||
git reset --quiet --hard "${GIT_REF}"
|
||||
git submodule update --init --recursive
|
||||
git --no-pager log -1 --pretty='%nCommitSHA: %H%nCommitTime: %ci%nCommitAuthor: %an%nCommitSubject: %s%n'
|
||||
|
||||
elif [ -d /mnt/cp2k ]; then
|
||||
echo -e "\n========== Copying Changed Files =========="
|
||||
# We can't rely on timestamps as they depend on the git checkout time.
|
||||
# Hence, we use checksums despite the IO because a full rebuild would be even more costly.
|
||||
rsync --checksum \
|
||||
--delete \
|
||||
--executability \
|
||||
--verbose \
|
||||
--recursive \
|
||||
--exclude="*~" \
|
||||
--exclude=".*/" \
|
||||
--exclude="*.py[cod]" \
|
||||
--exclude="__pycache__" \
|
||||
--exclude="/obj/" \
|
||||
--exclude="/lib/" \
|
||||
--exclude="/exe/" \
|
||||
--exclude="/regtesting/" \
|
||||
--exclude="/arch/local*" \
|
||||
--exclude="/tools/toolchain/build/" \
|
||||
--exclude="/tools/toolchain/install/" \
|
||||
/mnt/cp2k/ /workspace/cp2k/
|
||||
elif [ -d /mnt/cp2k ]; then
|
||||
echo -e "\n========== Copying Changed Files =========="
|
||||
# We can't rely on timestamps as they depend on the git checkout time.
|
||||
# Hence, we use checksums despite the IO because a full rebuild would be even more costly.
|
||||
rsync --checksum \
|
||||
--delete \
|
||||
--executability \
|
||||
--verbose \
|
||||
--recursive \
|
||||
--exclude="*~" \
|
||||
--exclude=".*/" \
|
||||
--exclude="*.py[cod]" \
|
||||
--exclude="__pycache__" \
|
||||
--exclude="/obj/" \
|
||||
--exclude="/lib/" \
|
||||
--exclude="/exe/" \
|
||||
--exclude="/regtesting/" \
|
||||
--exclude="/arch/local*" \
|
||||
--exclude="/tools/toolchain/build/" \
|
||||
--exclude="/tools/toolchain/install/" \
|
||||
/mnt/cp2k/ /workspace/cp2k/
|
||||
else
|
||||
echo "Neither GIT_REF nor /mnt/cp2k found - aborting."
|
||||
exit 255
|
||||
echo "Neither GIT_REF nor /mnt/cp2k found - aborting."
|
||||
exit 255
|
||||
fi
|
||||
|
||||
if ! md5sum --status --check ${CHECKSUMS}; then
|
||||
echo -e "\n========== Cleaning Build Cache =========="
|
||||
cd /workspace/cp2k
|
||||
make distclean
|
||||
echo -e "\n========== Cleaning Build Cache =========="
|
||||
cd /workspace/cp2k
|
||||
make distclean
|
||||
fi
|
||||
|
||||
# Run actual test.
|
||||
echo -e "\n========== Running Test =========="
|
||||
cd /workspace
|
||||
if ! "$@" ; then
|
||||
echo -e "\nSummary: Test had non-zero exit status.\nStatus: FAILED"
|
||||
if ! "$@"; then
|
||||
echo -e "\nSummary: Test had non-zero exit status.\nStatus: FAILED"
|
||||
fi
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -7,14 +7,14 @@ apt-get update -qq
|
|||
export DEBIAN_FRONTEND=noninteractive
|
||||
export DEBCONF_NONINTERACTIVE_SEEN=true
|
||||
apt-get install -qq --no-install-recommends \
|
||||
python3-setuptools \
|
||||
python3-wheel \
|
||||
python3-pip \
|
||||
python3-dev \
|
||||
postgresql \
|
||||
rabbitmq-server \
|
||||
sudo \
|
||||
ssh
|
||||
python3-setuptools \
|
||||
python3-wheel \
|
||||
python3-pip \
|
||||
python3-dev \
|
||||
postgresql \
|
||||
rabbitmq-server \
|
||||
sudo \
|
||||
ssh
|
||||
rm -rf /var/lib/apt/lists/*
|
||||
|
||||
# install dependencies of aiida-cp2k
|
||||
|
|
@ -25,14 +25,14 @@ pip3 uninstall --quiet --yes aiida-cp2k
|
|||
|
||||
# create ubuntu user with sudo powers
|
||||
adduser --disabled-password --gecos "" ubuntu
|
||||
echo "ubuntu ALL=(ALL) NOPASSWD: ALL" >> /etc/sudoers
|
||||
echo "ubuntu ALL=(ALL) NOPASSWD: ALL" >> /etc/sudoers
|
||||
|
||||
# shellcheck disable=SC1091
|
||||
source /opt/cp2k-toolchain/install/setup
|
||||
|
||||
# link mpi executables into path
|
||||
MPI_INSTALL_DIR=$(dirname "$(command -v mpirun)")
|
||||
for i in "${MPI_INSTALL_DIR}"/* ; do ln -sf "$i" /usr/bin/; done
|
||||
for i in "${MPI_INSTALL_DIR}"/*; do ln -sf "$i" /usr/bin/; done
|
||||
|
||||
# setup arch files
|
||||
cd /workspace/cp2k/arch
|
||||
|
|
@ -41,10 +41,10 @@ ln -vs /opt/cp2k-toolchain/install/arch/local* .
|
|||
# pre-build cp2k
|
||||
cd /workspace/cp2k
|
||||
echo -n "Warming cache by trying to compile... "
|
||||
if make -j VERSION=pdbg &> /dev/null ; then
|
||||
echo "done."
|
||||
if make -j VERSION=pdbg &> /dev/null; then
|
||||
echo "done."
|
||||
else
|
||||
echo "failed."
|
||||
echo "failed."
|
||||
fi
|
||||
rm -rf lib exe
|
||||
|
||||
|
|
|
|||
|
|
@ -5,12 +5,12 @@
|
|||
# install python packages
|
||||
apt-get update -qq
|
||||
apt-get install -qq --no-install-recommends \
|
||||
python3 \
|
||||
python3-dev \
|
||||
python3-pip \
|
||||
python3-wheel \
|
||||
python3-setuptools \
|
||||
build-essential
|
||||
python3 \
|
||||
python3-dev \
|
||||
python3-pip \
|
||||
python3-wheel \
|
||||
python3-setuptools \
|
||||
build-essential
|
||||
rm -rf /var/lib/apt/lists/*
|
||||
|
||||
# install python packages
|
||||
|
|
@ -29,10 +29,10 @@ ln -vs /opt/cp2k-toolchain/install/arch/local* .
|
|||
# pre-build cp2k
|
||||
cd /workspace/cp2k
|
||||
echo -n "Warming cache by trying to compile... "
|
||||
if make -j VERSION=pdbg &> /dev/null ; then
|
||||
echo "done."
|
||||
if make -j VERSION=pdbg &> /dev/null; then
|
||||
echo "done."
|
||||
else
|
||||
echo "failed."
|
||||
echo "failed."
|
||||
fi
|
||||
rm -rf lib exe
|
||||
|
||||
|
|
|
|||
|
|
@ -2,36 +2,36 @@
|
|||
|
||||
# author: Ole Schuett
|
||||
|
||||
if grep -q -e "Ubuntu" -e "Debian" /etc/os-release ; then
|
||||
echo -n "Installing Ubuntu packages... "
|
||||
apt-get update -qq
|
||||
apt-get install -qq --no-install-recommends \
|
||||
ca-certificates \
|
||||
git \
|
||||
less \
|
||||
nano \
|
||||
python3 \
|
||||
rsync \
|
||||
wget
|
||||
rm -rf /var/lib/apt/lists/*
|
||||
echo "done."
|
||||
if grep -q -e "Ubuntu" -e "Debian" /etc/os-release; then
|
||||
echo -n "Installing Ubuntu packages... "
|
||||
apt-get update -qq
|
||||
apt-get install -qq --no-install-recommends \
|
||||
ca-certificates \
|
||||
git \
|
||||
less \
|
||||
nano \
|
||||
python3 \
|
||||
rsync \
|
||||
wget
|
||||
rm -rf /var/lib/apt/lists/*
|
||||
echo "done."
|
||||
|
||||
elif grep -q "Fedora" /etc/os-release ; then
|
||||
echo -n "Installing Fedora packages... "
|
||||
dnf -qy install \
|
||||
ca-certificates \
|
||||
git \
|
||||
less \
|
||||
nano \
|
||||
python3 \
|
||||
rsync \
|
||||
wget
|
||||
dnf -q clean all
|
||||
echo "done."
|
||||
elif grep -q "Fedora" /etc/os-release; then
|
||||
echo -n "Installing Fedora packages... "
|
||||
dnf -qy install \
|
||||
ca-certificates \
|
||||
git \
|
||||
less \
|
||||
nano \
|
||||
python3 \
|
||||
rsync \
|
||||
wget
|
||||
dnf -q clean all
|
||||
echo "done."
|
||||
|
||||
else
|
||||
echo "Unknown Linux distribution."
|
||||
exit 1
|
||||
echo "Unknown Linux distribution."
|
||||
exit 1
|
||||
|
||||
fi
|
||||
|
||||
|
|
|
|||
|
|
@ -12,10 +12,10 @@ ln -vs /opt/cp2k-toolchain/install/arch/local* .
|
|||
# pre-build cp2k
|
||||
cd /workspace/cp2k/tools/conventions
|
||||
echo -n "Warming cache by trying to run test_conventions.sh... "
|
||||
if ./test_conventions.sh &> /dev/null ; then
|
||||
echo "done."
|
||||
if ./test_conventions.sh &> /dev/null; then
|
||||
echo "done."
|
||||
else
|
||||
echo "failed."
|
||||
echo "failed."
|
||||
fi
|
||||
|
||||
rm -rf ../lib/ ../exe/
|
||||
|
|
|
|||
|
|
@ -8,8 +8,8 @@ lcov_sha256="c1cda2fa33bec9aa2c2c73c87226cfe97de0831887176b45ee523c5e30f8053a"
|
|||
# LCOV dependencies
|
||||
apt-get update -qq
|
||||
apt-get install -qq --no-install-recommends \
|
||||
libperlio-gzip-perl \
|
||||
libjson-perl
|
||||
libperlio-gzip-perl \
|
||||
libjson-perl
|
||||
rm -rf /var/lib/apt/lists/*
|
||||
|
||||
cd /tmp
|
||||
|
|
|
|||
|
|
@ -5,13 +5,13 @@
|
|||
# install Ubuntu packages
|
||||
apt-get update -qq
|
||||
apt-get install -qq --no-install-recommends \
|
||||
libfindbin-libs-perl \
|
||||
build-essential \
|
||||
make \
|
||||
perl \
|
||||
python3-{pip,setuptools,wheel,dev} \
|
||||
nodejs \
|
||||
clang-format
|
||||
libfindbin-libs-perl \
|
||||
build-essential \
|
||||
make \
|
||||
perl \
|
||||
python3-{pip,setuptools,wheel,dev} \
|
||||
nodejs \
|
||||
clang-format
|
||||
|
||||
rm -rf /var/lib/apt/lists/*
|
||||
|
||||
|
|
|
|||
|
|
@ -5,10 +5,10 @@
|
|||
# install Ubuntu packages
|
||||
apt-get update -qq
|
||||
apt-get install -qq --no-install-recommends \
|
||||
python3 \
|
||||
python3-pip \
|
||||
python3-wheel \
|
||||
python3-setuptools
|
||||
python3 \
|
||||
python3-pip \
|
||||
python3-wheel \
|
||||
python3-setuptools
|
||||
rm -rf /var/lib/apt/lists/*
|
||||
|
||||
# install python packages
|
||||
|
|
@ -27,10 +27,10 @@ ln -vs /opt/cp2k-toolchain/install/arch/local* .
|
|||
# pre-build cp2k
|
||||
cd /workspace/cp2k
|
||||
echo -n "Warming cache by trying to compile... "
|
||||
if make -j VERSION=pdbg &> /dev/null ; then
|
||||
echo "done."
|
||||
if make -j VERSION=pdbg &> /dev/null; then
|
||||
echo "done."
|
||||
else
|
||||
echo "failed."
|
||||
echo "failed."
|
||||
fi
|
||||
rm -rf lib exe
|
||||
|
||||
|
|
|
|||
|
|
@ -4,9 +4,9 @@
|
|||
|
||||
# install Ubuntu packages
|
||||
apt-get update -qq
|
||||
apt-get install -qq --no-install-recommends \
|
||||
default-jre-headless \
|
||||
libsaxonhe-java
|
||||
apt-get install -qq --no-install-recommends \
|
||||
default-jre-headless \
|
||||
libsaxonhe-java
|
||||
rm -rf /var/lib/apt/lists/*
|
||||
|
||||
# shellcheck disable=SC1091
|
||||
|
|
@ -19,10 +19,10 @@ ln -vs /opt/cp2k-toolchain/install/arch/local* .
|
|||
# pre-build cp2k
|
||||
cd /workspace/cp2k
|
||||
echo -n "Warming cache by trying to compile... "
|
||||
if make -j VERSION=psmp &> /dev/null ; then
|
||||
echo "done."
|
||||
if make -j VERSION=psmp &> /dev/null; then
|
||||
echo "done."
|
||||
else
|
||||
echo "failed."
|
||||
echo "failed."
|
||||
fi
|
||||
rm -rf lib exe
|
||||
|
||||
|
|
|
|||
|
|
@ -5,13 +5,13 @@
|
|||
# install Ubuntu packages
|
||||
apt-get update -qq
|
||||
apt-get install -qq --no-install-recommends \
|
||||
libpython3-stdlib \
|
||||
python3 \
|
||||
python3-pip \
|
||||
python3-wheel \
|
||||
python3-setuptools \
|
||||
python3-dev \
|
||||
build-essential
|
||||
libpython3-stdlib \
|
||||
python3 \
|
||||
python3-pip \
|
||||
python3-wheel \
|
||||
python3-setuptools \
|
||||
python3-dev \
|
||||
build-essential
|
||||
rm -rf /var/lib/apt/lists/*
|
||||
|
||||
# install python packages
|
||||
|
|
|
|||
|
|
@ -2,9 +2,9 @@
|
|||
|
||||
# author: Ole Schuett
|
||||
|
||||
if (( $# != 2 )) ; then
|
||||
echo "Usage: install_regtest.sh <ARCH> <VERSION>"
|
||||
exit 1
|
||||
if (($# != 2)); then
|
||||
echo "Usage: install_regtest.sh <ARCH> <VERSION>"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
ARCH=$1
|
||||
|
|
@ -18,18 +18,18 @@ ln -vs /opt/cp2k-toolchain/install/arch/local* .
|
|||
source /opt/cp2k-toolchain/install/setup
|
||||
|
||||
# Make OpenMPI happy.
|
||||
if command -v ompi_info &> /dev/null ; then
|
||||
TESTOPTS="-mpiexec 'mpiexec --bind-to none --allow-run-as-root' ${TESTOPTS}"
|
||||
export OMPI_MCA_plm_rsh_agent=/bin/false
|
||||
if command -v ompi_info &> /dev/null; then
|
||||
TESTOPTS="-mpiexec 'mpiexec --bind-to none --allow-run-as-root' ${TESTOPTS}"
|
||||
export OMPI_MCA_plm_rsh_agent=/bin/false
|
||||
fi
|
||||
|
||||
# pre-build cp2k
|
||||
cd /workspace/cp2k || exit 1
|
||||
echo -n "Warming cache by trying to compile... "
|
||||
if make -j ARCH="${ARCH}" VERSION="${VERSION}" &> /dev/null ; then
|
||||
echo "done."
|
||||
if make -j ARCH="${ARCH}" VERSION="${VERSION}" &> /dev/null; then
|
||||
echo "done."
|
||||
else
|
||||
echo "failed."
|
||||
echo "failed."
|
||||
fi
|
||||
|
||||
# remove binaries to reduce image size
|
||||
|
|
|
|||
|
|
@ -17,12 +17,12 @@ source /opt/cp2k-toolchain/install/setup
|
|||
# pre-build cp2k
|
||||
cd /workspace/cp2k
|
||||
for VERSION in 'psmp' 'ssmp'; do
|
||||
echo -n "Warming cache by trying to compile cp2k.${VERSION}... "
|
||||
if make -j VERSION="${VERSION}" &> /dev/null ; then
|
||||
echo 'done.'
|
||||
else
|
||||
echo 'failed.'
|
||||
fi
|
||||
echo -n "Warming cache by trying to compile cp2k.${VERSION}... "
|
||||
if make -j VERSION="${VERSION}" &> /dev/null; then
|
||||
echo 'done.'
|
||||
else
|
||||
echo 'failed.'
|
||||
fi
|
||||
done
|
||||
|
||||
rm -rf lib exe
|
||||
|
|
|
|||
|
|
@ -8,14 +8,14 @@ source /opt/cp2k-toolchain/install/setup
|
|||
echo -e "\n========== Compiling CP2K =========="
|
||||
cd /workspace/cp2k
|
||||
echo -n "Compiling cp2k... "
|
||||
if make -j VERSION=pdbg &> make.out ; then
|
||||
echo "done."
|
||||
if make -j VERSION=pdbg &> make.out; then
|
||||
echo "done."
|
||||
else
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
|
||||
echo -e "\n========== Installing AiiDA-CP2K plugin =========="
|
||||
|
|
@ -44,13 +44,13 @@ EndOfMessage
|
|||
chmod +x /usr/bin/cp2k
|
||||
|
||||
echo -e "\n========== Running AiiDA-CP2K Tests =========="
|
||||
cd /opt/aiida-cp2k/
|
||||
cd /opt/aiida-cp2k/
|
||||
|
||||
set +e # disable error trapping for remainder of script
|
||||
(
|
||||
set -e # abort on error
|
||||
ulimit -t 1800 # abort after 30 minutes
|
||||
$AS_UBUNTU_USER py.test
|
||||
set -e # abort on error
|
||||
ulimit -t 1800 # abort after 30 minutes
|
||||
$AS_UBUNTU_USER py.test
|
||||
)
|
||||
|
||||
EXIT_CODE=$?
|
||||
|
|
@ -58,12 +58,12 @@ EXIT_CODE=$?
|
|||
echo ""
|
||||
|
||||
AIIDA_COMMIT=$(git rev-parse --short HEAD)
|
||||
if (( EXIT_CODE )); then
|
||||
echo "Summary: Something is wrong with aiida-cp2k commit ${AIIDA_COMMIT}."
|
||||
echo "Status: FAILED"
|
||||
if ((EXIT_CODE)); then
|
||||
echo "Summary: Something is wrong with aiida-cp2k commit ${AIIDA_COMMIT}."
|
||||
echo "Status: FAILED"
|
||||
else
|
||||
echo "Summary: aiida-cp2k commit ${AIIDA_COMMIT} works fine."
|
||||
echo "Status: OK"
|
||||
echo "Summary: aiida-cp2k commit ${AIIDA_COMMIT} works fine."
|
||||
echo "Status: OK"
|
||||
fi
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -7,14 +7,14 @@ source /opt/cp2k-toolchain/install/setup
|
|||
|
||||
cd /workspace/cp2k
|
||||
echo -n "Compiling cp2k... "
|
||||
if make -j VERSION=pdbg &> make.out ; then
|
||||
echo "done."
|
||||
if make -j VERSION=pdbg &> make.out; then
|
||||
echo "done."
|
||||
else
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
|
||||
echo -e "\n========== Installing CP2K =========="
|
||||
|
|
@ -48,12 +48,12 @@ echo -e "\n========== Running ASE Tests =========="
|
|||
cd /opt/ase/
|
||||
ASE_REVISION=$(git rev-parse --short HEAD)
|
||||
|
||||
if ase test -j 0 -c cp2k calculator/cp2k ; then
|
||||
echo "Summary: ASE commit ${ASE_REVISION} works fine."
|
||||
echo "Status: OK"
|
||||
if ase test -j 0 -c cp2k calculator/cp2k; then
|
||||
echo "Summary: ASE commit ${ASE_REVISION} works fine."
|
||||
echo "Status: OK"
|
||||
else
|
||||
echo "Summary: Something is wrong with ASE commit ${ASE_REVISION}."
|
||||
echo "Status: FAILED"
|
||||
echo "Summary: Something is wrong with ASE commit ${ASE_REVISION}."
|
||||
echo "Status: FAILED"
|
||||
fi
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -7,6 +7,6 @@ source /opt/cp2k-toolchain/install/setup
|
|||
|
||||
echo -e "\n========== Running Conventions Test =========="
|
||||
cd /workspace/cp2k/tools/conventions
|
||||
./test_conventions.sh #TODO port to Python3
|
||||
./test_conventions.sh #TODO port to Python3
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -2,9 +2,9 @@
|
|||
|
||||
# author: Ole Schuett
|
||||
|
||||
if (( $# != 1 )) ; then
|
||||
echo "Usage: test_coverage.sh <VERSION>"
|
||||
exit 1
|
||||
if (($# != 1)); then
|
||||
echo "Usage: test_coverage.sh <VERSION>"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
ARCH=local_coverage
|
||||
|
|
@ -16,7 +16,7 @@ source /opt/cp2k-toolchain/install/setup
|
|||
echo -e "\n========== Running Regtests =========="
|
||||
cd /workspace/cp2k || exit 1
|
||||
CP2K_REVISION=$(./tools/build_utils/get_revision_number ./src)
|
||||
rm -rf "obj/${ARCH}/${VERSION}"/*.gcda # remove old gcov statistics
|
||||
rm -rf "obj/${ARCH}/${VERSION}"/*.gcda # remove old gcov statistics
|
||||
|
||||
make ARCH="${ARCH}" VERSION="${VERSION}" TESTOPTS="${TESTOPTS}" test
|
||||
|
||||
|
|
@ -26,11 +26,11 @@ make ARCH="${ARCH}" VERSION="${VERSION}" TESTOPTS="${TESTOPTS}" test
|
|||
rm -f "/workspace/cp2k/obj/${ARCH}/${VERSION}"/exts/*/*.gcda
|
||||
cd /tmp || exit 1
|
||||
GCOV_TIMEOUT="10s"
|
||||
for fn in "/workspace/cp2k/obj/${ARCH}/${VERSION}"/*.gcda ; do
|
||||
if ! timeout "${GCOV_TIMEOUT}" gcov "$fn" &> /dev/null ; then
|
||||
echo "Skipping ${fn} because gcov took longer than ${GCOV_TIMEOUT}."
|
||||
rm "${fn}"
|
||||
fi
|
||||
for fn in "/workspace/cp2k/obj/${ARCH}/${VERSION}"/*.gcda; do
|
||||
if ! timeout "${GCOV_TIMEOUT}" gcov "$fn" &> /dev/null; then
|
||||
echo "Skipping ${fn} because gcov took longer than ${GCOV_TIMEOUT}."
|
||||
rm "${fn}"
|
||||
fi
|
||||
done
|
||||
|
||||
# collect coverage stats
|
||||
|
|
|
|||
|
|
@ -4,12 +4,12 @@
|
|||
|
||||
echo -e "\n========== Generating Doxygen =========="
|
||||
cd /workspace/cp2k
|
||||
if ! make doxygen &> make.out ; then
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Doxygen generation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
if ! make doxygen &> make.out; then
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Doxygen generation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
|
||||
mkdir -p /workspace/artifacts
|
||||
|
|
|
|||
|
|
@ -8,14 +8,14 @@ source /opt/cp2k-toolchain/install/setup
|
|||
echo -e "\n========== Compiling CP2K =========="
|
||||
cd /workspace/cp2k
|
||||
echo -n "Compiling cp2k... "
|
||||
if make -j VERSION=pdbg &> make.out ; then
|
||||
echo "done."
|
||||
if make -j VERSION=pdbg &> make.out; then
|
||||
echo "done."
|
||||
else
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
|
||||
echo -e "\n========== Installing i-Pi =========="
|
||||
|
|
@ -25,11 +25,11 @@ pip3 install --quiet .
|
|||
|
||||
echo -e "\n========== Running i-Pi Tests =========="
|
||||
|
||||
cd /opt/i-pi/examples/cp2k/nvt-cl
|
||||
cd /opt/i-pi/examples/cp2k/nvt-cl
|
||||
set +e # disable error trapping for remainder of script
|
||||
|
||||
TIMEOUT_SEC="300"
|
||||
ulimit -t ${TIMEOUT_SEC} # Limit cpu time.
|
||||
ulimit -t ${TIMEOUT_SEC} # Limit cpu time.
|
||||
|
||||
# launch cp2k
|
||||
(
|
||||
|
|
@ -56,12 +56,12 @@ echo "CP2K exit code: ${CP2K_EXIT_CODE}"
|
|||
echo "i-Pi exit code: ${IPI_EXIT_CODE}"
|
||||
|
||||
IPI_REVISION=$(git rev-parse --short HEAD)
|
||||
if (( IPI_EXIT_CODE )) || (( CP2K_EXIT_CODE )) ; then
|
||||
echo "Summary: Something is wrong with i-Pi commit ${IPI_REVISION}."
|
||||
echo "Status: FAILED"
|
||||
if ((IPI_EXIT_CODE)) || ((CP2K_EXIT_CODE)); then
|
||||
echo "Summary: Something is wrong with i-Pi commit ${IPI_REVISION}."
|
||||
echo "Status: FAILED"
|
||||
else
|
||||
echo "Summary: i-Pi commit ${IPI_REVISION} works fine."
|
||||
echo "Status: OK"
|
||||
echo "Summary: i-Pi commit ${IPI_REVISION} works fine."
|
||||
echo "Status: OK"
|
||||
fi
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -7,16 +7,16 @@ source /opt/cp2k-toolchain/install/setup
|
|||
|
||||
echo -e "\n========== Compiling CP2K =========="
|
||||
cd /workspace/cp2k
|
||||
touch src/cp2k_info.F # ensure latest REVISION is picked up.
|
||||
touch src/cp2k_info.F # ensure latest REVISION is picked up.
|
||||
echo -n "Compiling cp2k... "
|
||||
if make -j VERSION=psmp &> make.out ; then
|
||||
echo "done."
|
||||
if make -j VERSION=psmp &> make.out; then
|
||||
echo "done."
|
||||
else
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
|
||||
echo -e "\n========== Generating Manual =========="
|
||||
|
|
@ -33,21 +33,21 @@ cp ${TOOLS}/manual/toggle_folding.js .
|
|||
|
||||
set +e # disable error trapping for remainder of script
|
||||
(
|
||||
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:index.html ./cp2k_input.xml ${TOOLS}/manual/cp2k_input.xsl add_edit_links=yes
|
||||
$SAXON -o:cp2k.vim ./cp2k_input.xml ${TOOLS}/input_editing/vim/vim.xsl
|
||||
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:index.html ./cp2k_input.xml ${TOOLS}/manual/cp2k_input.xsl add_edit_links=yes
|
||||
$SAXON -o:cp2k.vim ./cp2k_input.xml ${TOOLS}/input_editing/vim/vim.xsl
|
||||
)
|
||||
EXIT_CODE=$?
|
||||
|
||||
echo ""
|
||||
if (( EXIT_CODE )); then
|
||||
echo "Summary: Something is wrong."
|
||||
echo "Status: FAILED"
|
||||
if ((EXIT_CODE)); then
|
||||
echo "Summary: Something is wrong."
|
||||
echo "Status: FAILED"
|
||||
else
|
||||
echo "Summary: Manual generation works fine."
|
||||
echo "Status: OK"
|
||||
echo "Summary: Manual generation works fine."
|
||||
echo "Status: OK"
|
||||
fi
|
||||
|
||||
#EOF
|
||||
|
|
|
|||
|
|
@ -3,34 +3,34 @@
|
|||
# author: Ole Schuett
|
||||
|
||||
function run_tests {
|
||||
PYTHON=$1
|
||||
SCRIPTS=$2
|
||||
BASEDIR=$(pwd)
|
||||
VERSION=$(${PYTHON} -V 2>&1 | tr -d '\n')
|
||||
echo ""
|
||||
echo "========== Running ${VERSION} Tests =========="
|
||||
#find ./src/ ./tools/ -name "*.pyc" -exec rm {} \;
|
||||
for i in $SCRIPTS ; do
|
||||
set +e #disable error trapping
|
||||
echo "Running $i"
|
||||
cd "$(dirname "$i")"
|
||||
SCRIPT=$(basename "$i")
|
||||
if ! $PYTHON -B "./${SCRIPT}" ; then
|
||||
echo "Test $i failed"
|
||||
ERRORS=$((ERRORS+1))
|
||||
fi
|
||||
set -e #re-enable error trapping
|
||||
cd "$BASEDIR"
|
||||
done
|
||||
PYTHON=$1
|
||||
SCRIPTS=$2
|
||||
BASEDIR=$(pwd)
|
||||
VERSION=$(${PYTHON} -V 2>&1 | tr -d '\n')
|
||||
echo ""
|
||||
echo "========== Running ${VERSION} Tests =========="
|
||||
#find ./src/ ./tools/ -name "*.pyc" -exec rm {} \;
|
||||
for i in $SCRIPTS; do
|
||||
set +e #disable error trapping
|
||||
echo "Running $i"
|
||||
cd "$(dirname "$i")"
|
||||
SCRIPT=$(basename "$i")
|
||||
if ! $PYTHON -B "./${SCRIPT}"; then
|
||||
echo "Test $i failed"
|
||||
ERRORS=$((ERRORS + 1))
|
||||
fi
|
||||
set -e #re-enable error trapping
|
||||
cd "$BASEDIR"
|
||||
done
|
||||
}
|
||||
|
||||
function run_pre_commit {
|
||||
set +e #disable error trapping
|
||||
if ! pre-commit run --all-files --hook-stage manual check-ast ; then
|
||||
echo "Syntax check failed."
|
||||
ERRORS=$((ERRORS+1))
|
||||
fi
|
||||
set -e #re-enable error trapping
|
||||
set +e #disable error trapping
|
||||
if ! pre-commit run --all-files --hook-stage manual check-ast; then
|
||||
echo "Syntax check failed."
|
||||
ERRORS=$((ERRORS + 1))
|
||||
fi
|
||||
set -e #re-enable error trapping
|
||||
}
|
||||
|
||||
#===============================================================================
|
||||
|
|
@ -39,7 +39,7 @@ ERRORS=0
|
|||
cd /workspace/cp2k
|
||||
|
||||
# find executable python scripts
|
||||
ALL_TEST_SCRIPTS=$(find ./src/ ./tools/ -name "*_test.py" -executable)
|
||||
ALL_TEST_SCRIPTS=$(find ./src/ ./tools/ -name "*_test.py" -executable)
|
||||
|
||||
# python 3.x
|
||||
run_tests python3 "${ALL_TEST_SCRIPTS}"
|
||||
|
|
@ -48,11 +48,11 @@ run_tests python3 "${ALL_TEST_SCRIPTS}"
|
|||
run_pre_commit
|
||||
|
||||
# print report
|
||||
NUM_TEST_SCRIPTS=$(( $(wc -w <<< "${ALL_TEST_SCRIPTS}") + 1 ))
|
||||
NUM_TEST_SCRIPTS=$(($(wc -w <<< "${ALL_TEST_SCRIPTS}") + 1))
|
||||
echo ""
|
||||
echo "Summary: Run ${NUM_TEST_SCRIPTS} Python test scripts, found ${ERRORS} errors."
|
||||
if [ $ERRORS == 0 ]; then
|
||||
echo "Status: OK"
|
||||
echo "Status: OK"
|
||||
else
|
||||
echo "Status: FAILED"
|
||||
echo "Status: FAILED"
|
||||
fi
|
||||
|
|
|
|||
|
|
@ -2,9 +2,9 @@
|
|||
|
||||
# author: Ole Schuett
|
||||
|
||||
if (( $# != 2 )) ; then
|
||||
echo "Usage: test_regtest.sh <ARCH> <VERSION>"
|
||||
exit 1
|
||||
if (($# != 2)); then
|
||||
echo "Usage: test_regtest.sh <ARCH> <VERSION>"
|
||||
exit 1
|
||||
fi
|
||||
|
||||
ARCH=$1
|
||||
|
|
@ -14,43 +14,43 @@ VERSION=$2
|
|||
source /opt/cp2k-toolchain/install/setup
|
||||
|
||||
# Make OpenMPI happy.
|
||||
if command -v ompi_info &> /dev/null ; then
|
||||
TESTOPTS="-mpiexec 'mpiexec --bind-to none --allow-run-as-root' ${TESTOPTS}"
|
||||
export OMPI_MCA_plm_rsh_agent=/bin/false
|
||||
if command -v ompi_info &> /dev/null; then
|
||||
TESTOPTS="-mpiexec 'mpiexec --bind-to none --allow-run-as-root' ${TESTOPTS}"
|
||||
export OMPI_MCA_plm_rsh_agent=/bin/false
|
||||
fi
|
||||
|
||||
# Switch to stable DBCSR version if requested.
|
||||
if [ -n "${USE_STABLE_DBCSR}" ] ; then
|
||||
echo "Switching to stable DBCSR version..."
|
||||
if ! git -C cp2k/exts/dbcsr checkout v2.1.0-rc16 ; then
|
||||
echo -e "\nSummary: Could not checkout stable DBCSR version."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
ln -fs python3 /usr/bin/python # DBCSR v2.1.0-rc16 needs the python binary.
|
||||
if [ -n "${USE_STABLE_DBCSR}" ]; then
|
||||
echo "Switching to stable DBCSR version..."
|
||||
if ! git -C cp2k/exts/dbcsr checkout v2.1.0-rc16; then
|
||||
echo -e "\nSummary: Could not checkout stable DBCSR version."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
ln -fs python3 /usr/bin/python # DBCSR v2.1.0-rc16 needs the python binary.
|
||||
fi
|
||||
|
||||
# Compile cp2k.
|
||||
echo -en "\nCompiling cp2k... "
|
||||
cd /workspace/cp2k || exit 1
|
||||
if make -j ARCH="${ARCH}" VERSION="${VERSION}" &> make.out ; then
|
||||
echo "done."
|
||||
if make -j ARCH="${ARCH}" VERSION="${VERSION}" &> make.out; then
|
||||
echo "done."
|
||||
else
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
|
||||
# Check benchmark files for input errors.
|
||||
if [[ "${ARCH}" == "local" ]] ; then
|
||||
echo -en "\nChecking benchmarks... "
|
||||
if ! ./tools/regtesting/check_inputs.py "./exe/${ARCH}/cp2k.${VERSION}" "./benchmarks/" ; then
|
||||
echo -e "\nSummary: Some benchmark inputs could not be parsed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
if [[ "${ARCH}" == "local" ]]; then
|
||||
echo -en "\nChecking benchmarks... "
|
||||
if ! ./tools/regtesting/check_inputs.py "./exe/${ARCH}/cp2k.${VERSION}" "./benchmarks/"; then
|
||||
echo -e "\nSummary: Some benchmark inputs could not be parsed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
fi
|
||||
|
||||
# Run regtests.
|
||||
|
|
|
|||
|
|
@ -7,17 +7,17 @@ source /opt/cp2k-toolchain/install/setup
|
|||
|
||||
echo -e '\n========== Compiling CP2K =========='
|
||||
cd /workspace/cp2k
|
||||
for VERSION in 'psmp' 'ssmp' ; do
|
||||
echo -n "Compiling cp2k.${VERSION}... "
|
||||
if make -j VERSION="${VERSION}" &> make.out ; then
|
||||
echo "done."
|
||||
else
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
for VERSION in 'psmp' 'ssmp'; do
|
||||
echo -n "Compiling cp2k.${VERSION}... "
|
||||
if make -j VERSION="${VERSION}" &> make.out; then
|
||||
echo "done."
|
||||
else
|
||||
echo -e "failed.\n\n"
|
||||
tail -n 100 make.out
|
||||
echo -e "\nSummary: Compilation failed."
|
||||
echo -e "Status: FAILED\n"
|
||||
exit 0
|
||||
fi
|
||||
done
|
||||
|
||||
echo -e '\n========== Running Scaling Test =========='
|
||||
|
|
|
|||
Loading…
Add table
Add a link
Reference in a new issue