Fix failing CI (#3676)

Description of changes: - add GPU fixture in `lb_profile` (fixes #3671, closes #3669, closes #3670, closes #3674) - fix incorrect `mesh` checks in P3M methods - post the style patch (fixes #3672)
espressomd · Apr 21, 2020 · 9d5c510 · 9d5c510
2 parents c403abc + c69281c
commit 9d5c510
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Showing 5 changed files with 40 additions and 43 deletions.
diff --git a/maintainer/CI/fix_style.sh b/maintainer/CI/fix_style.sh
@@ -25,7 +25,7 @@ if ! git diff-index --quiet HEAD -- && [ "${1}" != "-f" ]; then
     exit 1
 fi
 
-maintainer/lint/pre_commit.sh run --all-files || exit 1
+maintainer/lint/pre_commit.sh run --all-files
 
 if [ "${CI}" != "" ]; then
     git --no-pager diff > style.patch

diff --git a/maintainer/gh_post_style_patch.py b/maintainer/gh_post_style_patch.py
@@ -43,13 +43,13 @@
 MESSAGE = '''Your pull request does not meet our code formatting \
 rules. {header}, please do one of the following:
 
-- You can download a patch with my suggested changes
-  [here]({url}/artifacts/raw/style.patch), inspect it and make
+- You can download a patch with my suggested changes \
+  [here]({url}/artifacts/raw/style.patch), inspect it and make \
   changes manually.
-- You can directly apply it to your repository by running
+- You can directly apply it to your repository by running \
   `curl {url}/artifacts/raw/style.patch | git apply -`.
-- You can run `maintainer/CI/fix_style.sh` to automatically fix your coding
-  style. This is the same command that I have executed to generate the patch
+- You can run `maintainer/CI/fix_style.sh` to automatically fix your coding \
+  style. This is the same command that I have executed to generate the patch \
   above, but it requires certain tools to be installed on your computer.
 
 You can run `gitlab-runner exec docker style` afterwards to check if your \

diff --git a/src/python/espressomd/electrostatics.pyx b/src/python/espressomd/electrostatics.pyx
@@ -25,7 +25,7 @@ IF SCAFACOS == 1:
     from .scafacos import ScafacosConnector
     from . cimport scafacos
 from .utils cimport handle_errors
-from .utils import is_valid_type, to_str
+from .utils import is_valid_type, check_type_or_throw_except, to_str
 from . cimport checks
 from .analyze cimport partCfg, PartCfg
 from .particle_data cimport particle
@@ -240,13 +240,13 @@ IF P3M == 1:
                     or self._params["r_cut"] == default_params["r_cut"]):
                 raise ValueError("P3M r_cut has to be >=0")
 
-            if not (is_valid_type(self._params["mesh"], int)
-                    or len(self._params["mesh"]) == 3):
-                raise ValueError(
-                    "P3M mesh has to be an integer or integer list of length 3")
-
-            if (isinstance(self._params["mesh"], basestring) and len(
-                    self._params["mesh"]) == 3):
+            if is_valid_type(self._params["mesh"], int):
+                if self._params["mesh"] % 2 != 0 and self._params["mesh"] != -1:
+                    raise ValueError(
+                        "P3M requires an even number of mesh points in all directions")
+            else:
+                check_type_or_throw_except(self._params["mesh"], 3, int,
+                                           "P3M mesh has to be an integer or integer list of length 3")
                 if (self._params["mesh"][0] % 2 != 0 and self._params["mesh"][0] != -1) or \
                    (self._params["mesh"][1] % 2 != 0 and self._params["mesh"][1] != -1) or \
                    (self._params["mesh"][2] % 2 != 0 and self._params["mesh"][2] != -1):
@@ -267,10 +267,9 @@ IF P3M == 1:
                     or self._params["epsilon"] == "metallic"):
                 raise ValueError("epsilon should be a double or 'metallic'")
 
-            if not (self._params["mesh_off"] == default_params["mesh_off"]
-                    or len(self._params) != 3):
-                raise ValueError(
-                    "mesh_off should be a list of length 3 and values between 0.0 and 1.0")
+            if self._params["mesh_off"] != default_params["mesh_off"]:
+                check_type_or_throw_except(self._params["mesh_off"], 3, float,
+                                           "mesh_off should be a (3,) array_like of values between 0.0 and 1.0")
 
             if not (self._params["alpha"] == default_params["alpha"]
                     or self._params["alpha"] > 0):
@@ -382,13 +381,13 @@ IF P3M == 1:
                         or self._params["r_cut"] == default_params["r_cut"]):
                     raise ValueError("P3M r_cut has to be >=0")
 
-                if not (is_valid_type(self._params["mesh"], int)
-                        or len(self._params["mesh"]) == 3):
-                    raise ValueError(
-                        "P3M mesh has to be an integer or integer list of length 3")
-
-                if (isinstance(self._params["mesh"], basestring) and len(
-                        self._params["mesh"]) == 3):
+                if is_valid_type(self._params["mesh"], int):
+                    if self._params["mesh"] % 2 != 0 and self._params["mesh"] != -1:
+                        raise ValueError(
+                            "P3M requires an even number of mesh points in all directions")
+                else:
+                    check_type_or_throw_except(self._params["mesh"], 3, int,
+                                               "P3M mesh has to be an integer or integer list of length 3")
                     if (self._params["mesh"][0] % 2 != 0 and self._params["mesh"][0] != -1) or \
                        (self._params["mesh"][1] % 2 != 0 and self._params["mesh"][1] != -1) or \
                        (self._params["mesh"][2] % 2 != 0 and self._params["mesh"][2] != -1):
@@ -411,10 +410,9 @@ IF P3M == 1:
                     raise ValueError(
                         "epsilon should be a double or 'metallic'")
 
-                if not (self._params["mesh_off"] == default_params["mesh_off"]
-                        or len(self._params) != 3):
-                    raise ValueError(
-                        "mesh_off should be a list of length 3 with values between 0.0 and 1.0")
+                if self._params["mesh_off"] != default_params["mesh_off"]:
+                    check_type_or_throw_except(self._params["mesh_off"], 3, float,
+                                               "mesh_off should be a (3,) array_like of values between 0.0 and 1.0")
 
             def valid_keys(self):
                 return ["mesh", "cao", "accuracy", "epsilon", "alpha", "r_cut",

diff --git a/src/python/espressomd/magnetostatics.pyx b/src/python/espressomd/magnetostatics.pyx
@@ -24,7 +24,7 @@ IF SCAFACOS == 1:
     from . cimport scafacos
 
 from .utils cimport handle_errors
-from .utils import is_valid_type, to_str
+from .utils import is_valid_type, check_type_or_throw_except, to_str
 
 IF DIPOLES == 1:
     cdef class MagnetostaticInteraction(Actor):
@@ -101,13 +101,13 @@ IF DP3M == 1:
                     or self._params["r_cut"] == default_params["r_cut"]):
                 raise ValueError("P3M r_cut has to be >=0")
 
-            if not (is_valid_type(self._params["mesh"], int) or len(
-                    self._params["mesh"]) == 3):
-                raise ValueError(
-                    "P3M mesh has to be an integer or integer list of length 3")
-
-            if isinstance(self._params["mesh"], basestring) and len(
-                    self._params["mesh"]) == 3:
+            if is_valid_type(self._params["mesh"], int):
+                if self._params["mesh"] % 2 != 0 and self._params["mesh"] != -1:
+                    raise ValueError(
+                        "P3M requires an even number of mesh points in all directions")
+            else:
+                check_type_or_throw_except(self._params["mesh"], 3, int,
+                                           "P3M mesh has to be an integer or integer list of length 3")
                 if (self._params["mesh"][0] % 2 != 0 and self._params["mesh"][0] != -1) or \
                    (self._params["mesh"][1] % 2 != 0 and self._params["mesh"][1] != -1) or \
                    (self._params["mesh"][2] % 2 != 0 and self._params["mesh"][2] != -1):
@@ -132,10 +132,9 @@ IF DP3M == 1:
                     or self._params["inter"] > 0):
                 raise ValueError("inter should be a positive integer")
 
-            if not (self._params["mesh_off"] == default_params["mesh_off"]
-                    or len(self._params["mesh_off"]) == 3):
-                raise ValueError(
-                    "mesh_off should be a (3,) array_like of values between 0.0 and 1.0")
+            if self._params["mesh_off"] != default_params["mesh_off"]:
+                check_type_or_throw_except(self._params["mesh_off"], 3, float,
+                                           "mesh_off should be a (3,) array_like of values between 0.0 and 1.0")
 
         def valid_keys(self):
             return ["prefactor", "alpha_L", "r_cut_iL", "mesh", "mesh_off",
@@ -205,7 +204,7 @@ IF DP3M == 1:
         def python_dp3m_adaptive_tune(self):
             cdef char * log = NULL
             cdef int response
-            response = dp3m_adaptive_tune( & log)
+            response = dp3m_adaptive_tune(& log)
             handle_errors(
                 "dipolar P3M_init: k-space cutoff is larger than half of box dimension")
             return response, log

diff --git a/testsuite/scripts/samples/test_lb_profile.py b/testsuite/scripts/samples/test_lb_profile.py
@@ -20,7 +20,7 @@
 import numpy as np
 
 sample, skipIfMissingFeatures = importlib_wrapper.configure_and_import(
-    "@SAMPLES_DIR@/lb_profile.py")
+    "@SAMPLES_DIR@/lb_profile.py", gpu=True)
 
 
 @skipIfMissingFeatures