From 04dd4284328246f8f7259e2ea433868052050a67 Mon Sep 17 00:00:00 2001
From: =?UTF-8?q?Ole=20Sch=C3=BCtt?= <ole.schuett@cp2k.org>
Date: Tue, 26 Sep 2023 21:49:06 +0200
Subject: [PATCH] Move do_regtest.py into tests dir

---
 Makefile                                  | 4 ++--
 {tools/regtesting => tests}/do_regtest.py | 2 +-
 tools/docker/Dockerfile.prod_cuda_A100    | 2 +-
 tools/docker/Dockerfile.prod_cuda_P100    | 2 +-
 tools/docker/Dockerfile.prod_cuda_V100    | 2 +-
 tools/docker/Dockerfile.prod_generic_pdbg | 2 +-
 tools/docker/Dockerfile.prod_generic_psmp | 2 +-
 tools/docker/Dockerfile.prod_generic_sdbg | 2 +-
 tools/docker/Dockerfile.prod_generic_ssmp | 2 +-
 tools/docker/Dockerfile.prod_intel_psmp   | 2 +-
 tools/docker/Dockerfile.prod_pdbg         | 2 +-
 tools/docker/Dockerfile.prod_psmp         | 2 +-
 tools/docker/Dockerfile.prod_sdbg         | 2 +-
 tools/docker/Dockerfile.prod_ssmp         | 2 +-
 tools/docker/Dockerfile.test_doxygen      | 1 +
 tools/docker/Dockerfile.test_misc         | 1 +
 tools/docker/generate_dockerfiles.py      | 3 ++-
 tools/docker/scripts/test_misc.sh         | 2 +-
 18 files changed, 20 insertions(+), 17 deletions(-)
 rename {tools/regtesting => tests}/do_regtest.py (99%)

diff --git a/Makefile b/Makefile
index 53e29240ed..5bb5d03def 100644
--- a/Makefile
+++ b/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
diff --git a/tools/regtesting/do_regtest.py b/tests/do_regtest.py
similarity index 99%
rename from tools/regtesting/do_regtest.py
rename to tests/do_regtest.py
index b7a5e0a08e..97fdddc685 100755
--- a/tools/regtesting/do_regtest.py
+++ b/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
diff --git a/tools/docker/Dockerfile.prod_cuda_A100 b/tools/docker/Dockerfile.prod_cuda_A100
index d5cb3b60db..0a848c856f 100644
--- a/tools/docker/Dockerfile.prod_cuda_A100
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_cuda_P100 b/tools/docker/Dockerfile.prod_cuda_P100
index 31df78f1e1..b7ad6a8684 100644
--- a/tools/docker/Dockerfile.prod_cuda_P100
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_cuda_V100 b/tools/docker/Dockerfile.prod_cuda_V100
index d9bb3d72a3..3e684ac188 100644
--- a/tools/docker/Dockerfile.prod_cuda_V100
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_generic_pdbg b/tools/docker/Dockerfile.prod_generic_pdbg
index 0b10358fe6..c95a9fa4bc 100644
--- a/tools/docker/Dockerfile.prod_generic_pdbg
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_generic_psmp b/tools/docker/Dockerfile.prod_generic_psmp
index f3a97a9ee4..8ea3575003 100644
--- a/tools/docker/Dockerfile.prod_generic_psmp
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_generic_sdbg b/tools/docker/Dockerfile.prod_generic_sdbg
index 70f94cb18f..b4ba7608fd 100644
--- a/tools/docker/Dockerfile.prod_generic_sdbg
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_generic_ssmp b/tools/docker/Dockerfile.prod_generic_ssmp
index 371cbb4a2c..9e687da813 100644
--- a/tools/docker/Dockerfile.prod_generic_ssmp
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_intel_psmp b/tools/docker/Dockerfile.prod_intel_psmp
index f6ef537cfe..92c0edcc2d 100644
--- a/tools/docker/Dockerfile.prod_intel_psmp
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_pdbg b/tools/docker/Dockerfile.prod_pdbg
index 2057ef58e0..6912ab3c68 100644
--- a/tools/docker/Dockerfile.prod_pdbg
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_psmp b/tools/docker/Dockerfile.prod_psmp
index 108c146299..4a6468e858 100644
--- a/tools/docker/Dockerfile.prod_psmp
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_sdbg b/tools/docker/Dockerfile.prod_sdbg
index eeb0f08ccd..47743c5653 100644
--- a/tools/docker/Dockerfile.prod_sdbg
+++ b/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.
diff --git a/tools/docker/Dockerfile.prod_ssmp b/tools/docker/Dockerfile.prod_ssmp
index fa0b12f220..21a8aeba47 100644
--- a/tools/docker/Dockerfile.prod_ssmp
+++ b/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.
diff --git a/tools/docker/Dockerfile.test_doxygen b/tools/docker/Dockerfile.test_doxygen
index c0ad296c63..f36bd08989 100644
--- a/tools/docker/Dockerfile.test_doxygen
+++ b/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 .
diff --git a/tools/docker/Dockerfile.test_misc b/tools/docker/Dockerfile.test_misc
index 9854fb5ea1..d9d1c98d21 100644
--- a/tools/docker/Dockerfile.test_misc
+++ b/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 .
diff --git a/tools/docker/generate_dockerfiles.py b/tools/docker/generate_dockerfiles.py
index 937a37a3aa..59b11e1f27 100755
--- a/tools/docker/generate_dockerfiles.py
+++ b/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.
diff --git a/tools/docker/scripts/test_misc.sh b/tools/docker/scripts/test_misc.sh
index 4fc9ad5075..2733a2cd5f 100755
--- a/tools/docker/scripts/test_misc.sh
+++ b/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