Updating pycv to 0.0.2, making it compatible with python 3.10 and above

docker/fedora39-pycv

@@ -17,7 +17,4 @@ RUN source /etc/bashrc \
  && cd plugins/pycv \
  && ./configurePyCV.sh \
  && ln -s $(realpath ../../regtest/scripts) ./regtest/scripts \
- && make check_standalone
-# To whom is reading: python > 3.10 gives some problems when using pycv
-# from plumed whithin python. SO please remember to chante  "check_standalone"
-#into "check" to verify that the problem is fixed
+ && make check

plugins/pycv/.gitignore

@@ -1,4 +1,5 @@
 /Makefile.conf
+pycv_here
 *.o
 *.so
 /env*/

plugins/pycv/FindPlumed.cmake

@@ -66,10 +66,10 @@ if(NOT Plumed_FOUND)
             endif()
           endforeach()
         endif()
-        if(${_line} MATCHES ".*-fopenmp.*")
-          set(Plumed_HAS_MPI
+        if(${_line} MATCHES ".*-[fq]openmp.*")
+          set(Plumed_HAS_OPENMP
               1
-              CACHE INTERNAL "plumed has MPI")
+              CACHE INTERNAL "plumed has OpenMP")
         endif()
       endforeach()
 

plugins/pycv/pyproject.toml

@@ -9,7 +9,7 @@ dependencies = [
   "numpy",
   "pybind11>=2.10.3,<=2.11.1"
 ]
-version = "0.0.1"
+version = "0.0.2"
 description="PyCV support module for plumed"
 readme = "README.md"
 authors = [

plugins/pycv/pythontests/test_cv.py

@@ -1,8 +1,7 @@
 import unittest
 import numpy as np
 
-from utilities_for_test import *
-
+from utilities_for_test import setUpTraj, preparePlumed, cd, create_plumed_var
 import os
 
 THIS_DIR = os.path.dirname(os.path.abspath(__file__))

plugins/pycv/pythontests/test_cv_calls.py

@@ -1,7 +1,7 @@
 import unittest
 import numpy as np
 
-from utilities_for_test import *
+from utilities_for_test import cd, preparePlumed, create_plumed_var, setUpTraj
 
 import os
 

plugins/pycv/pythontests/test_fun_calls.py

@@ -1,7 +1,7 @@
 import unittest
 import numpy as np
 
-from utilities_for_test import *
+from utilities_for_test import cd, preparePlumed, create_plumed_var, setUpTraj
 
 import os