Adopt docker tests to new repo layout.

cp2k · Oct 2, 2018 · b26af28 · b26af28
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commit b26af28
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Showing 21 changed files with 113 additions and 112 deletions.
diff --git a/tools/docker/regtest/Dockerfile b/tools/docker/regtest/Dockerfile
@@ -8,19 +8,19 @@ RUN wget -q -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip &
     unzip -q cp2k-master.zip  && \
     rm cp2k-master.zip
 
-WORKDIR /opt/cp2k-master/cp2k/arch
+WORKDIR /opt/cp2k-master/arch
 RUN ln -vs /opt/cp2k-toolchain/install/arch/local* .
 
 ARG ARCH
 ARG VERSION
-WORKDIR /opt/cp2k-master/cp2k/makefiles
+WORKDIR /opt/cp2k-master
 # run regtests which lack fixed reference value
 # Disable LeakSanitizer during docker build as it requires ptrace capabilities.
 RUN source /opt/cp2k-toolchain/install/setup     && \
     make -j   ARCH=${ARCH} VERSION=${VERSION}    && \
     export LSAN_OPTIONS="detect_leaks=0"         && \
     make test ARCH=${ARCH} VERSION=${VERSION} TESTOPTS="-restrictdir QS/regtest-almo-md -restrictdir QS/regtest-almo-1 -restrictdir SE/regtest-3-4 -restrictdir QS/regtest-ot-1-vib -restrictdir Fist/regtest-5-vib -restrictdir QS/regtest-optbas -restrictdir TMC/regtest_ana_post_proc" && \
-    rm -rf ../lib/ ../exe/ ../regtesting/${ARCH}/${VERSION}/TEST-*
+    rm -rf lib exe regtesting/${ARCH}/${VERSION}/TEST-*
 
 # install Debian packages
 RUN apt-get update && apt-get install -y --no-install-recommends \

diff --git a/tools/docker/regtest/cmd.sh b/tools/docker/regtest/cmd.sh
@@ -7,11 +7,11 @@ echo -e "\n========== Copying Changed Files =========="
 rsync --exclude="*~"                      \
       --exclude=".*/"                     \
       --exclude="*.pyc"                   \
-      --exclude=/cp2k/obj/                \
-      --exclude=/cp2k/lib/                \
-      --exclude=/cp2k/exe/                \
-      --exclude=/cp2k/regtesting/         \
-      --exclude=/cp2k/tools/toolchain/    \
+      --exclude=/obj/                     \
+      --exclude=/lib/                     \
+      --exclude=/exe/                     \
+      --exclude=/regtesting/              \
+      --exclude=/tools/toolchain/         \
       --ignore-times                      \
       --update                            \
       --verbose                           \
@@ -29,16 +29,16 @@ rsync --exclude="*~"                              \
       --verbose                                   \
       --recursive                                 \
       --checksum                                  \
-      /opt/cp2k-local/cp2k/tools/toolchain/  /opt/cp2k-toolchain/
+      /opt/cp2k-local/tools/toolchain/  /opt/cp2k-toolchain/
 
 echo -e "\n========== Updating Toolchain =========="
 cd /opt/cp2k-toolchain/
 ./install_cp2k_toolchain.sh --install-all --with-make=no
 
 echo -e "\n========== Running Regtests =========="
 source /opt/cp2k-toolchain/install/setup
-cd /opt/cp2k-master/cp2k/makefiles
-rm -rf ../obj/${ARCH}/${VERSION}/*.gcda   # remove old gcov statistics
+cd /opt/cp2k-master
+rm -rf obj/${ARCH}/${VERSION}/*.gcda   # remove old gcov statistics
 
 if [[ "$TESTNAME" != "farming" ]]; then
    make ARCH=${ARCH} VERSION=${VERSION} test TESTOPTS="${TESTOPTS}"
@@ -50,18 +50,18 @@ if [[ "$TESTNAME" == coverage-* ]]; then
    # gcov gets stuck on some files...
    # Maybe related: https://bugs.launchpad.net/gcc-arm-embedded/+bug/1694644
    # As a workaround we'll simply remove the offending files for now.
-   rm -v /opt/cp2k-master/cp2k/obj/${ARCH}/${VERSION}/almo_scf_types.gcda
-   rm -v /opt/cp2k-master/cp2k/obj/${ARCH}/${VERSION}/dbcsr_tensor_types.gcda
-   rm -v /opt/cp2k-master/cp2k/obj/${ARCH}/${VERSION}/mp2_types.gcda
+   rm -v /opt/cp2k-master/obj/${ARCH}/${VERSION}/almo_scf_types.gcda
+   rm -v /opt/cp2k-master/obj/${ARCH}/${VERSION}/dbcsr_tensor_types.gcda
+   rm -v /opt/cp2k-master/obj/${ARCH}/${VERSION}/mp2_types.gcda
    #cd /tmp
-   #for i in /opt/cp2k-master/cp2k/obj/${ARCH}/${VERSION}/*.gcda; do
+   #for i in /opt/cp2k-master/obj/${ARCH}/${VERSION}/*.gcda; do
    #    timeout 30 gcov $i >/dev/null 2>&1 || rm -v $i
    #done
 
    # collect coverage stats
    mkdir -p /opt/cp2k_test_artifacts/coverage
    cd /opt/cp2k_test_artifacts/coverage
-   lcov --directory /opt/cp2k-master/cp2k/obj/${ARCH}/${VERSION} --capture --output-file coverage.info > lcov.log
+   lcov --directory /opt/cp2k-master/obj/${ARCH}/${VERSION} --capture --output-file coverage.info > lcov.log
    lcov --summary coverage.info
 
    # generate html report

diff --git a/tools/docker/run_test.sh b/tools/docker/run_test.sh
@@ -21,7 +21,7 @@ if git rev-parse; then
   CP2K_REVISION="git:$(git log --pretty=format:'%h' -n 1)"
 fi
 
-CP2K_LOCAL=$(realpath ../../../)
+CP2K_LOCAL=$(realpath ../../)
 set -x
 # SYS_PTRACE needed by LeakSanitizer.
 docker run -i --init --rm --cap-add=SYS_PTRACE --env "CP2K_REVISION=$CP2K_REVISION" --volume ${CP2K_LOCAL}:/opt/cp2k-local/:ro "$@" img_cp2k_test_${TESTNAME}

diff --git a/tools/docker/test_aiida/Dockerfile b/tools/docker/test_aiida/Dockerfile
@@ -4,17 +4,19 @@ FROM cp2k/toolchain:latest
 
 # download and compile cp2k snapshot
 WORKDIR /opt/
-RUN wget -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip && \
-    unzip cp2k-master.zip  && \
+RUN wget -q -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip && \
+    unzip -q cp2k-master.zip  && \
     rm cp2k-master.zip
 
-WORKDIR /opt/cp2k-master/cp2k/arch
+RUN ls -l cp2k-master/
+
+WORKDIR /opt/cp2k-master/arch
 RUN ln -vs /opt/cp2k-toolchain/install/arch/local* .
 
-WORKDIR /opt/cp2k-master/cp2k/makefiles
+WORKDIR /opt/cp2k-master
 RUN source /opt/cp2k-toolchain/install/setup  && \
     make -j VERSION=pdbg                      && \
-    rm -rf ../lib/ ../exe/
+    rm -rf lib exe
 
 # install Debian packages
 RUN export DEBIAN_FRONTEND=noninteractive DEBCONF_NONINTERACTIVE_SEEN=true && \

diff --git a/tools/docker/test_aiida/cmd.sh b/tools/docker/test_aiida/cmd.sh
@@ -8,9 +8,9 @@ echo -e "\n========== Copying Changed Files =========="
 rsync --exclude="*~"          \
       --exclude=".*/"         \
       --exclude="*.pyc"       \
-      --exclude=/cp2k/obj/    \
-      --exclude=/cp2k/lib/    \
-      --exclude=/cp2k/exe/    \
+      --exclude=/obj/         \
+      --exclude=/lib/         \
+      --exclude=/exe/         \
       --ignore-times          \
       --update                \
       --verbose               \
@@ -26,22 +26,22 @@ rsync --exclude="*~"          \
       --verbose               \
       --recursive             \
       --checksum              \
-      /opt/cp2k-local/cp2k/tools/toolchain/  /opt/cp2k-toolchain/
+      /opt/cp2k-local/tools/toolchain/  /opt/cp2k-toolchain/
 
 echo -e "\n========== Updating Toolchain =========="
 cd /opt/cp2k-toolchain/
 ./install_cp2k_toolchain.sh --install-all --with-make=no
 
 echo -e "\n========== Compiling CP2K =========="
 source /opt/cp2k-toolchain/install/setup
-cd /opt/cp2k-master/cp2k/makefiles
+cd /opt/cp2k-master
 make -j VERSION=pdbg cp2k
 
 echo -e "\n========== Installing CP2K =========="
 cat > /usr/bin/cp2k << EndOfMessage
 #!/bin/bash -e
 source /opt/cp2k-toolchain/install/setup
-/opt/cp2k-master/cp2k/exe/local/cp2k.pdbg "\$@"
+/opt/cp2k-master/exe/local/cp2k.pdbg "\$@"
 EndOfMessage
 chmod +x /usr/bin/cp2k
 

diff --git a/tools/docker/test_ase/Dockerfile b/tools/docker/test_ase/Dockerfile
@@ -4,17 +4,17 @@ FROM cp2k/toolchain:latest
 
 # download and compile cp2k snapshot
 WORKDIR /opt/
-RUN wget -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip && \
-    unzip cp2k-master.zip  && \
+RUN wget -q -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip && \
+    unzip -q cp2k-master.zip  && \
     rm cp2k-master.zip
 
-WORKDIR /opt/cp2k-master/cp2k/arch
+WORKDIR /opt/cp2k-master/arch
 RUN ln -vs /opt/cp2k-toolchain/install/arch/local* .
 
-WORKDIR /opt/cp2k-master/cp2k/makefiles
+WORKDIR /opt/cp2k-master
 RUN source /opt/cp2k-toolchain/install/setup  && \
     make -j VERSION=pdbg                      && \
-    rm -rf ../lib/ ../exe/
+    rm -rf lib exe
 
 # install Debian packages
 RUN apt-get update && apt-get install -y --no-install-recommends \

diff --git a/tools/docker/test_ase/cmd.sh b/tools/docker/test_ase/cmd.sh
@@ -8,9 +8,9 @@ echo -e "\n========== Copying Changed Files =========="
 rsync --exclude="*~"          \
       --exclude=".*/"         \
       --exclude="*.pyc"       \
-      --exclude=/cp2k/obj/    \
-      --exclude=/cp2k/lib/    \
-      --exclude=/cp2k/exe/    \
+      --exclude=/obj/         \
+      --exclude=/lib/         \
+      --exclude=/exe/         \
       --ignore-times          \
       --update                \
       --verbose               \
@@ -26,17 +26,16 @@ rsync --exclude="*~"          \
       --verbose               \
       --recursive             \
       --checksum              \
-      /opt/cp2k-local/cp2k/tools/toolchain/  /opt/cp2k-toolchain/
+      /opt/cp2k-local/tools/toolchain/  /opt/cp2k-toolchain/
 
 echo -e "\n========== Updating Toolchain =========="
 cd /opt/cp2k-toolchain/
 ./install_cp2k_toolchain.sh --install-all --with-make=no
 
 echo -e "\n========== Compiling CP2K =========="
 source /opt/cp2k-toolchain/install/setup
-cd /opt/cp2k-master/cp2k/makefiles
+cd /opt/cp2k-master
 make -j VERSION=pdbg cp2k_shell
-ln -s /opt/cp2k-master/cp2k/exe/local/cp2k.pdbg /usr/bin/cp2k
 
 echo -e "\n========== Installing ASE =========="
 cd /opt/ase/
@@ -45,7 +44,7 @@ pip3 install .
 
 echo -e "\n========== Running ASE Tests =========="
 cd /opt/ase/
-export ASE_CP2K_COMMAND="mpiexec -np 2 /opt/cp2k-master/cp2k/exe/local/cp2k_shell.pdbg"
+export ASE_CP2K_COMMAND="mpiexec -np 2 /opt/cp2k-master/exe/local/cp2k_shell.pdbg"
 
 set +e # disable error trapping for remainder of script
 (

diff --git a/tools/docker/test_conventions/Dockerfile b/tools/docker/test_conventions/Dockerfile
@@ -4,14 +4,14 @@ FROM cp2k/toolchain:latest
 
 # download and compile cp2k snapshot
 WORKDIR /opt/
-RUN wget -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip && \
-    unzip cp2k-master.zip  && \
+RUN wget -q -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip && \
+    unzip -q cp2k-master.zip  && \
     rm cp2k-master.zip
 
-WORKDIR /opt/cp2k-master/cp2k/arch
+WORKDIR /opt/cp2k-master/arch
 RUN ln -vs /opt/cp2k-toolchain/install/arch/local* .
 
-WORKDIR /opt/cp2k-master/cp2k/tools/conventions/
+WORKDIR /opt/cp2k-master/tools/conventions/
 RUN source /opt/cp2k-toolchain/install/setup            && \
     ./test_conventions.sh                               && \
     rm -rf ../lib/ ../exe/

diff --git a/tools/docker/test_conventions/cmd.sh b/tools/docker/test_conventions/cmd.sh
@@ -8,9 +8,9 @@ echo -e "\n========== Copying Changed Files =========="
 rsync --exclude="*~"          \
       --exclude=".*/"         \
       --exclude="*.pyc"       \
-      --exclude=/cp2k/obj/    \
-      --exclude=/cp2k/lib/    \
-      --exclude=/cp2k/exe/    \
+      --exclude=/obj/         \
+      --exclude=/lib/         \
+      --exclude=/exe/         \
       --ignore-times          \
       --update                \
       --verbose               \
@@ -26,15 +26,15 @@ rsync --exclude="*~"          \
       --verbose               \
       --recursive             \
       --checksum              \
-      /opt/cp2k-local/cp2k/tools/toolchain/  /opt/cp2k-toolchain/
+      /opt/cp2k-local/tools/toolchain/  /opt/cp2k-toolchain/
 
 echo -e "\n========== Updating Toolchain =========="
 cd /opt/cp2k-toolchain/
 ./install_cp2k_toolchain.sh --install-all --with-make=no
 
 echo -e "\n========== Running Conventions Test =========="
 source /opt/cp2k-toolchain/install/setup
-cd /opt/cp2k-master/cp2k/tools/conventions/
+cd /opt/cp2k-master/tools/conventions/
 #TODO port to Python3
 ./test_conventions.sh
 

diff --git a/tools/docker/test_formatting/Dockerfile b/tools/docker/test_formatting/Dockerfile
@@ -14,15 +14,15 @@ RUN apt-get update && apt-get install -y --no-install-recommends \
 && rm -rf /var/lib/apt/lists/*
 
 WORKDIR /opt/
-RUN wget -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip && \
-    unzip cp2k-master.zip  && \
+RUN wget -q -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip && \
+    unzip -q cp2k-master.zip  && \
     rm cp2k-master.zip
 
-WORKDIR /opt/cp2k-master/cp2k
+WORKDIR /opt/cp2k-master
 RUN ./tools/formatting/test_formatting.sh
 
 WORKDIR /opt/cp2k_test_formatting
 COPY cmd.sh .
 CMD ["./cmd.sh"]
 
-#EOF
+#EOF
diff --git a/tools/docker/test_formatting/cmd.sh b/tools/docker/test_formatting/cmd.sh
@@ -8,9 +8,9 @@ echo -e "\n========== Copying Changed Files =========="
 rsync --exclude="*~"          \
       --exclude=".*/"         \
       --exclude="*.pyc"       \
-      --exclude=/cp2k/obj/    \
-      --exclude=/cp2k/lib/    \
-      --exclude=/cp2k/exe/    \
+      --exclude=/obj/         \
+      --exclude=/lib/         \
+      --exclude=/exe/         \
       --ignore-times          \
       --update                \
       --verbose               \
@@ -19,7 +19,7 @@ rsync --exclude="*~"          \
       /opt/cp2k-local/  /opt/cp2k-master/
 
 echo -e "\n========== Running Formatting Test =========="
-cd /opt/cp2k-master/cp2k
+cd /opt/cp2k-master
 ./tools/formatting/test_formatting.sh
 
 #EOF
diff --git a/tools/docker/test_i-pi/Dockerfile b/tools/docker/test_i-pi/Dockerfile
@@ -4,17 +4,17 @@ FROM cp2k/toolchain:latest
 
 # download and compile cp2k snapshot
 WORKDIR /opt/
-RUN wget -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip && \
-    unzip cp2k-master.zip  && \
+RUN wget -q -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip && \
+    unzip -q cp2k-master.zip  && \
     rm cp2k-master.zip
 
-WORKDIR /opt/cp2k-master/cp2k/arch
+WORKDIR /opt/cp2k-master/arch
 RUN ln -vs /opt/cp2k-toolchain/install/arch/local* .
 
-WORKDIR /opt/cp2k-master/cp2k/makefiles
+WORKDIR /opt/cp2k-master
 RUN source /opt/cp2k-toolchain/install/setup  && \
     make -j VERSION=pdbg                      && \
-    rm -rf ../lib/ ../exe/
+    rm -rf lib exe
 
 # install Debian packages
 RUN apt-get update && apt-get install -y --no-install-recommends \

diff --git a/tools/docker/test_i-pi/cmd.sh b/tools/docker/test_i-pi/cmd.sh
@@ -8,9 +8,9 @@ echo -e "\n========== Copying Changed Files =========="
 rsync --exclude="*~"          \
       --exclude=".*/"         \
       --exclude="*.pyc"       \
-      --exclude=/cp2k/obj/    \
-      --exclude=/cp2k/lib/    \
-      --exclude=/cp2k/exe/    \
+      --exclude=/obj/         \
+      --exclude=/lib/         \
+      --exclude=/exe/         \
       --ignore-times          \
       --update                \
       --verbose               \
@@ -26,15 +26,15 @@ rsync --exclude="*~"          \
       --verbose               \
       --recursive             \
       --checksum              \
-      /opt/cp2k-local/cp2k/tools/toolchain/  /opt/cp2k-toolchain/
+      /opt/cp2k-local/tools/toolchain/  /opt/cp2k-toolchain/
 
 echo -e "\n========== Updating Toolchain =========="
 cd /opt/cp2k-toolchain/
 ./install_cp2k_toolchain.sh --install-all --with-make=no
 
 echo -e "\n========== Compiling CP2K =========="
 source /opt/cp2k-toolchain/install/setup
-cd /opt/cp2k-master/cp2k/makefiles
+cd /opt/cp2k-master
 make -j VERSION=pdbg cp2k
 
 echo -e "\n========== Installing i-Pi =========="
@@ -53,7 +53,7 @@ set +e # disable error trapping for remainder of script
   cd run_1
   echo 42 > cp2k_exit_code
   sleep 2 # give i-pi some time to startup
-  mpiexec -np 2 /opt/cp2k-master/cp2k/exe/local/cp2k.pdbg ../in.cp2k
+  mpiexec -np 2 /opt/cp2k-master/exe/local/cp2k.pdbg ../in.cp2k
   echo $? > cp2k_exit_code
 ) &
 

diff --git a/tools/docker/test_manual/Dockerfile b/tools/docker/test_manual/Dockerfile
@@ -8,13 +8,13 @@ RUN wget -q -O cp2k-master.zip https://github.com/cp2k/cp2k/archive/master.zip &
     unzip -q cp2k-master.zip  && \
     rm cp2k-master.zip
 
-WORKDIR /opt/cp2k-master/cp2k/arch
+WORKDIR /opt/cp2k-master/arch
 RUN ln -vs /opt/cp2k-toolchain/install/arch/local* .
 
-WORKDIR /opt/cp2k-master/cp2k/makefiles
+WORKDIR /opt/cp2k-master
 RUN source /opt/cp2k-toolchain/install/setup  && \
     make -j VERSION="sopt" cp2k               && \
-    rm -rf ../lib/ ../exe/
+    rm -rf lib exe
 
 # install Debian packages
 RUN apt-get update && apt-get install -y --no-install-recommends \