Merge pull request #35 from barbagroup/update_cuda

Update cuda

pygbe/main.py

@@ -167,7 +167,6 @@ def check_for_nvcc():
     """Check system PATH for nvcc, exit if not found"""
     try:
         subprocess.check_output(['which', 'nvcc'])
-        check_nvcc_version()
         return True
     except subprocess.CalledProcessError:
         print(
@@ -176,18 +175,6 @@ def check_for_nvcc():
         return False
 
 
-def check_nvcc_version():
-    """Check that version of nvcc <= 7.5"""
-    verstr = subprocess.check_output(['nvcc', '--version']).decode('utf-8')
-    cuda_ver = re.compile('release (\d\.\d)')
-    match = re.search(cuda_ver, verstr)
-    version = float(match.group(1))
-    if version > 7.5:
-        sys.exit('PyGBe only supports CUDA <= 7.5\n'
-                 'Please install an earlier version of the CUDA toolkit\n'
-                 'or remove `nvcc` from your PATH to use CPU only.')
-
-
 def main(argv=sys.argv, log_output=True, return_output_fname=False,
          return_results_dict=False, field=None):
     """

tests/test_lysozyme.py

@@ -25,10 +25,7 @@ def test_lysozyme(key):
     with open('lysozyme.pickle', 'rb') as f:
         base_results = pickle.load(f)
 
-    if base_results[key] > 0:
-        assert abs(base_results[key] - results[key]) / base_results[key] < 1e-12
-    else:
-        assert base_results[key] == results[key]
+    assert abs(base_results[key] - results[key]) / abs(base_results[key]) < 1e-12
 
 def test_lysozyme_iterations():
     results = get_results()

tests/test_pgbmut.py

@@ -25,10 +25,7 @@ def test_PGB_mut_sensor(key):
     with open('pgbmut.pickle', 'rb') as f:
         base_results = pickle.load(f)
 
-    if base_results[key] > 0:
-        assert abs(base_results[key] - results[key]) / base_results[key] < 1e-12
-    else:
-        assert base_results[key] == results[key]
+    assert abs(base_results[key] - results[key]) / abs(base_results[key]) < 1e-12
 
 def test_pgbmut_iterations():
     results = get_results()

tests/test_sphere.py

@@ -25,10 +25,7 @@ def test_sphere(key):
     with open('sphere.pickle', 'rb') as f:
         base_results = pickle.load(f)
 
-    if base_results[key] > 0:
-        assert abs(base_results[key] - results[key]) / base_results[key] < 1e-12
-    else:
-        assert base_results[key] == results[key]
+    assert abs(base_results[key] - results[key]) / abs(base_results[key] + 1e-16) < 1e-12
 
 def test_sphere_iterations():
     results = get_results()

tests/test_two_spheres.py

@@ -25,10 +25,7 @@ def test_two_sphere(key):
     with open('two_sphere.pickle', 'rb') as f:
         base_results = pickle.load(f)
 
-    if base_results[key] > 0:
-        assert abs(base_results[key] - results[key]) / base_results[key] < 1e-12
-    else:
-        assert base_results[key] == results[key]
+    assert abs(base_results[key] - results[key]) / (abs(base_results[key]) + 1e-16) < 1e-12
 
 def test_two_sphere_iterations():
     results = get_results()