Move do_regtest.py into tests dir

Makefile

@@ -253,11 +253,11 @@ $(EXEDIR)/cp2k_shell.$(ONEVERSION): $(EXEDIR)/cp2k.$(ONEVERSION)
 	cd $(EXEDIR); ln -sf cp2k.$(ONEVERSION) cp2k_shell.$(ONEVERSION)
 
 test:
-	@$(TOOLSRC)/regtesting/do_regtest.py $(ARCH) $(ONEVERSION) $(TESTOPTS)
+	@$(CP2KHOME)/tests/do_regtest.py $(ARCH) $(ONEVERSION) $(TESTOPTS)
 
 testbg:
 	@echo "testing: $(ONEVERSION) : full log in $(TSTDIR)/regtest.log "
-	@$(TOOLSRC)/regtesting/do_regtest.py $(ARCH) $(ONEVERSION) $(TESTOPTS) > $(TSTDIR)/regtest.log 2>&1
+	@$(CP2KHOME)/tests/do_regtest.py $(ARCH) $(ONEVERSION) $(TESTOPTS) > $(TSTDIR)/regtest.log 2>&1
 	@grep -e "Summary:" -e "Status:" $(TSTDIR)/regtest.log
 
 endif

tests/do_regtest.py

@@ -240,7 +240,7 @@ class Config:
         self.mpiranks = args.mpiranks if self.use_mpi else 1
         self.num_workers = int(args.maxtasks / self.ompthreads / self.mpiranks)
         self.workers = Semaphore(self.num_workers)
-        self.cp2k_root = Path(__file__).resolve().parent.parent.parent
+        self.cp2k_root = Path(__file__).resolve().parent.parent
         self.mpiexec = args.mpiexec.split()
         self.smoketest = args.smoketest
         self.valgrind = args.valgrind

tools/docker/Dockerfile.prod_cuda_A100

@@ -104,7 +104,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local_cuda' 'psmp' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local_cuda' 'psmp' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_cuda_P100

@@ -104,7 +104,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local_cuda' 'psmp' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local_cuda' 'psmp' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_cuda_V100

@@ -104,7 +104,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local_cuda' 'psmp' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local_cuda' 'psmp' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_generic_pdbg

@@ -89,7 +89,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local' 'pdbg' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local' 'pdbg' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_generic_psmp

@@ -89,7 +89,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local' 'psmp' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local' 'psmp' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_generic_sdbg

@@ -88,7 +88,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local' 'sdbg' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local' 'sdbg' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_generic_ssmp

@@ -88,7 +88,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local' 'ssmp' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local' 'ssmp' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_intel_psmp

@@ -90,7 +90,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'Linux-intel-x86_64' 'psmp' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'Linux-intel-x86_64' 'psmp' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_pdbg

@@ -88,7 +88,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local' 'pdbg' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local' 'pdbg' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_psmp

@@ -88,7 +88,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local' 'psmp' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local' 'psmp' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_sdbg

@@ -87,7 +87,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local' 'sdbg' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local' 'sdbg' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.prod_ssmp

@@ -87,7 +87,7 @@ COPY ./tools/regtesting ./tools/regtesting
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py 'local' 'ssmp' --skipdir=UNIT/libcp2k_unittest '${TESTOPTS}' |& tee regtests.log && \
+    ./tests/do_regtest.py 'local' 'ssmp' --skipdir=UNIT/libcp2k_unittest "${TESTOPTS}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/Dockerfile.test_doxygen

@@ -17,6 +17,7 @@ COPY ./exts ./exts
 COPY ./data ./data
 COPY ./docs ./docs
 COPY ./tools ./tools
+COPY ./tests ./tests
 COPY ./cmake ./cmake
 COPY ./CMakeLists.txt .
 COPY ./Makefile .

tools/docker/Dockerfile.test_misc

@@ -17,6 +17,7 @@ COPY ./exts ./exts
 COPY ./data ./data
 COPY ./docs ./docs
 COPY ./tools ./tools
+COPY ./tests ./tests
 COPY ./cmake ./cmake
 COPY ./CMakeLists.txt .
 COPY ./Makefile .

tools/docker/generate_dockerfiles.py

@@ -293,6 +293,7 @@ COPY ./exts ./exts
 COPY ./data ./data
 COPY ./docs ./docs
 COPY ./tools ./tools
+COPY ./tests ./tests
 COPY ./cmake ./cmake
 COPY ./CMakeLists.txt .
 COPY ./Makefile .
@@ -326,7 +327,7 @@ def production(version: str, arch: str = "local", intel: bool = False) -> str:
 ARG TESTOPTS
 RUN /bin/bash -c " \
     source /opt/cp2k-toolchain/install/setup && \
-    ./tools/regtesting/do_regtest.py '{arch}' '{version}' --skipdir=UNIT/libcp2k_unittest '${{TESTOPTS}}' |& tee regtests.log && \
+    ./tests/do_regtest.py '{arch}' '{version}' --skipdir=UNIT/libcp2k_unittest "${{TESTOPTS}}" |& tee regtests.log && \
     rm -rf regtesting"
 
 # Setup entry point for production.

tools/docker/scripts/test_misc.sh

@@ -34,7 +34,6 @@ run_test ./tools/apptainer/generate_apptainer_def_files.py --check
 run_test mypy --strict ./tools/minimax_tools/minimax_to_fortran_source.py
 run_test mypy --strict ./tools/dashboard/generate_dashboard.py
 run_test mypy --strict ./tools/dashboard/generate_regtest_survey.py
-run_test mypy --strict ./tools/regtesting/do_regtest.py
 run_test mypy --strict ./tools/regtesting/optimize_test_dirs.py
 run_test mypy --strict ./tools/precommit/precommit.py
 run_test mypy --strict ./tools/precommit/check_file_properties.py
@@ -42,6 +41,7 @@ run_test mypy --strict ./tools/precommit/format_makefile.py
 run_test mypy --strict ./tools/docker/generate_dockerfiles.py
 run_test mypy --strict ./tools/apptainer/generate_apptainer_def_files.py
 run_test mypy --strict ./tools/conventions/analyze_gfortran_ast.py
+run_test mypy --strict ./tests/do_regtest.py
 run_test mypy --strict ./docs/generate_input_reference.py
 run_test mypy --strict ./docs/fix_github_links.py