Re: [AMBER] problem with Python.h while compiling amber24

From: Timothy Giese via AMBER <amber.ambermd.org>
Date: Mon, 30 Sep 2024 14:34:18 +0000

I am unable to reproduce the behavior being described; however, I made some changes to the gitlab version of AmberTools that might resolve the issue. Perhaps you can make a few minor changes to a file, reconfigure, and see if it solves the problem for you.

Please edit the file AmberTools/src/nlopt/CMakeLists.txt.

Near the top of the file, you should see lines that read:

option (NLOPT_PYTHON "build python bindings" ON)
option (NLOPT_OCTAVE "build octave bindings" ON)
option (NLOPT_MATLAB "build matlab bindings" ON)
option (NLOPT_GUILE "build guile bindings" ON)
option (NLOPT_SWIG "use SWIG to build bindings" ON)

These language bindings are not used by AmberTools, so it should be fine to set them to OFF; e.g.,

option (NLOPT_PYTHON "build python bindings" OFF)
option (NLOPT_OCTAVE "build octave bindings" OFF)
option (NLOPT_MATLAB "build matlab bindings" OFF)
option (NLOPT_GUILE "build guile bindings" OFF)
option (NLOPT_SWIG "use SWIG to build bindings" OFF)

Save the changes and reconfigure cmake WITHOUT the "-DFORCE_DISABLE_LIBS=nlopt" option and try recompiling.
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Received on Mon Sep 30 2024 - 08:00:02 PDT
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