Newer numpys accepted.

UCL-CCS · Aug 13, 2023 · 8ae1827 · 8ae1827
1 parent 2354fc3
commit 8ae1827
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Showing 2 changed files with 4 additions and 9 deletions.
diff --git a/environment.yml b/environment.yml
@@ -4,9 +4,9 @@ channels:
   - defaults
 
 dependencies:
-  - conda-forge::ambertools >=20.0
+  - conda-forge::ambertools >=21.0
   - ties_md
-  - numpy <=1.23.5
+  - numpy
   - cython
   - setuptools
   - matplotlib

diff --git a/setup.py b/setup.py
@@ -2,12 +2,7 @@
 from distutils.extension import Extension
 from pathlib import Path
 
-try:
-    # get the information about numpy header files
-    import numpy
-    compile_include = [numpy.get_include()]
-except ModuleNotFoundError:
-    compile_include = []
+import numpy
 
 # handle cython modules: pyqcprot module for the rotation matrix
 try:
@@ -21,7 +16,7 @@
     print (f'use_cython: {use_cython}')
 
 ext_modules = [Extension("ties/pyqcprot_ext/pyqcprot", [f"ties/pyqcprot_ext/pyqcprot.{'pyx' if use_cython else 'c'}"],
-                         include_dirs=compile_include,
+                         include_dirs=[numpy.get_include()],
                          extra_compile_args=["-O3","-ffast-math"])]
 
 setup(