add missing folder, refactor fixtures

.gitignore

@@ -172,4 +172,7 @@ dmypy.json
 doc/
 
 # testmodels
-testmodels/
+testmodels/
+
+# modified .powrconfig
+powr/.powrconfig

powr/powrconfig

@@ -1,7 +1,7 @@
 # bash style for the PoWR scripts
 
 # define the powr work directory
-# export POWR_WORK=powr/
+export POWR_WORK=
 export POWR_INSTTYPE=local
 # export POWR_INSTTYPE=potsdam
 # export POWR_INSTTYPE=niscluster

powr/proc.dir/makechain.com

@@ -1,6 +1,6 @@
 #!/bin/bash
 
-# source ~/.powrconfig || exit
+source ~/.powrconfig || exit
 
 # this script generates a new chain for PoWR with number "kn" given via call
 # created by H. Todt 05.03.2008

powr/proc.dir/submit.com

@@ -1,6 +1,6 @@
 #!/bin/bash
 
-# source ~/.powrconfig || exit
+source ~/.powrconfig || exit
 
 ####################################################################
 #

test/conftest.py

@@ -11,38 +11,40 @@ def set_vars():
     powrdir = filedir.parents[0] / "powr"
     os.environ["POWR_WORK"] = powrdir.as_posix()
     os.environ["POWREXEPATH"] = (powrdir / "exe.dir").as_posix()
+    # create the tmp_2day folder if not exists
+    tmp_2day = powrdir / "tmp_2day"
+    if not os.path.exists(tmp_2day):
+        os.mkdir(tmp_2day)
     return powrdir
 
 
+# inject path into powrconfig
 @pytest.fixture(scope="session")
-def set_aliases(set_vars):
-    setup_file = "bash_setup"  # this could be different on MacOS
-    # the aliases setup currently does not work as the aliases
-    # are destryed between subprocess sessions
-    # either we set them in the python script or
-    # run explicitly with passing the env as dict
-    full_file_path = "${POWR_WORK}/proc.dir/" + setup_file
-    subprocess.run(
-        full_file_path,
-        shell=True,
-        check=True,
-        executable="/bin/bash",
-        capture_output=True,
-        text=True,
-    )
+def inject_path(set_vars):
+    powrconfig_file = set_vars / "powrconfig"
+    with open(powrconfig_file, "r") as f:
+        powrconfig = f.read()
+    # now insert path in correct spot
+    temp = powrconfig.split("export POWR_WORK=")
+    powrconfig = temp[0] + "export POWR_WORK=" + set_vars.as_posix() + temp[1]
+    powrconfig_file = set_vars / ".powrconfig"
+    with open(powrconfig_file, "w") as f:
+        f.write(powrconfig)
 
 
 @pytest.fixture(scope="session")
-def get_chain(set_aliases):
+def get_chain(inject_path):
     makechain_command = "${POWR_WORK}/proc.dir/makechain.com 1"
-    subprocess.run(
+    temp = subprocess.run(
         makechain_command,
         shell=True,
         check=True,
         executable="/bin/bash",
         capture_output=True,
         text=True,
     )
+    print(temp.stdout)
+    print(temp.stderr)
     yield "Created chain 1"
     # teardown directories
     # we need access to ${POWR_WORK} so shutil will not work

test/test_colitest.py

@@ -38,6 +38,7 @@ def run_colitest(get_chain):
     os.system("cat ${POWR_WORK}/output/colitest1.cpr")
     yield "ran colitest"
     os.system("rm -rf ${POWR_WORK}/tmp_data")
+    os.system("rm -rf ${POWR_WORK}/tmp_2day/*")
     return "Cleaned colitest tmp data"
 
 
@@ -69,6 +70,8 @@ def test_makechain(set_vars, get_chain):
     wrdata1_content = [
         "CARDS",
         "DATOM",
+        "FEDAT",
+        "FEDAT_FORMAL",
         "FGRID",
         "FORMAL_CARDS",
         "MODEL",
@@ -136,5 +139,5 @@ def test_colitest_run(set_vars, run_colitest):
 def test_read_model(set_vars, run_colitest):
     model_output = set_vars / "wrdata1" / "MODEL_STUDY_DONE"
     data_np = np.fromfile(model_output, dtype=float)
-    assert len(data_np) == 2233856
+    assert len(data_np) == 2246784
     assert np.allclose(data_np[256138:256149], MODEL_DATA_REF)