Can not install pyscf on mac OS

I encounter the issue of compiling lib on mac OS

System info: OS: mac OS 10.13.3 Clang: Target: Apple LLVM version 9.0.0 (clang-900.0.39.2)

I follow the instruction here: http://sunqm.github.io/pyscf/tutorial.html#quick-setup

after I do cmake and then try to make on the system, it fails. does anyone install pyscf on mac? Thanks.

Here is the error message:

/Users/XXX/temp/pyscf/pyscf/lib/build/deps/src/libxcfun/src/functionals/pw92eps.h:21:13: error: call to 'cbrt' is ambiguous
    return (cbrt(2)/(cbrt(2)-1))*(d.a_43+d.b_43)*d.n_m13/d.n - 1/(cbrt(2)-1);
            ^~~~
/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/include/c++/v1/math.h:1041:1: note: candidate function [with _A1 = int]
cbrt(_A1 __lcpp_x) _NOEXCEPT {return ::cbrt((double)__lcpp_x);}
^
/Users/XXX/temp/pyscf/pyscf/lib/build/deps/src/libxcfun/src/taylor/taylor_math.h:261:10: note: candidate function [with T = int]
inline T cbrt(T x)
         ^
/usr/include/math.h:435:15: note: candidate function
extern double cbrt(double);
              ^
/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/include/c++/v1/math.h:1035:46: note: candidate function
inline _LIBCPP_INLINE_VISIBILITY float       cbrt(float __lcpp_x) _NOEXCEPT       {return ::cbrtf(__lcpp_x);}
                                             ^
/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/include/c++/v1/math.h:1036:46: note: candidate function
inline _LIBCPP_INLINE_VISIBILITY long double cbrt(long double __lcpp_x) _NOEXCEPT {return ::cbrtl(__lcpp_x);}
                                             ^
In file included from /Users/XXX/temp/pyscf/pyscf/lib/build/deps/src/libxcfun/src/functionals/ldaerfc.cpp:2:
/Users/XXX/temp/pyscf/pyscf/lib/build/deps/src/libxcfun/src/functionals/pw92eps.h:21:22: error: call to 'cbrt' is ambiguous
    return (cbrt(2)/(cbrt(2)-1))*(d.a_43+d.b_43)*d.n_m13/d.n - 1/(cbrt(2)-1);
                     ^~~~
/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/include/c++/v1/math.h:1041:1: note: candidate function [with _A1 = int]
cbrt(_A1 __lcpp_x) _NOEXCEPT {return ::cbrt((double)__lcpp_x);}
^
/Users/XXX/temp/pyscf/pyscf/lib/build/deps/src/libxcfun/src/taylor/taylor_math.h:261:10: note: candidate function [with T = int]
inline T cbrt(T x)
         ^
/usr/include/math.h:435:15: note: candidate function
extern double cbrt(double);
              ^
/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/include/c++/v1/math.h:1035:46: note: candidate function
inline _LIBCPP_INLINE_VISIBILITY float       cbrt(float __lcpp_x) _NOEXCEPT       {return ::cbrtf(__lcpp_x);}
                                             ^
/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/include/c++/v1/math.h:1036:46: note: candidate function
inline _LIBCPP_INLINE_VISIBILITY long double cbrt(long double __lcpp_x) _NOEXCEPT {return ::cbrtl(__lcpp_x);}
                                             ^
In file included from /Users/XXX/temp/pyscf/pyscf/lib/build/deps/src/libxcfun/src/functionals/ldaerfc.cpp:2:
/Users/XXX/temp/pyscf/pyscf/lib/build/deps/src/libxcfun/src/functionals/pw92eps.h:21:67: error: call to 'cbrt' is ambiguous
    return (cbrt(2)/(cbrt(2)-1))*(d.a_43+d.b_43)*d.n_m13/d.n - 1/(cbrt(2)-1);
                                                                  ^~~~
/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/include/c++/v1/math.h:1041:1: note: candidate function [with _A1 = int]
cbrt(_A1 __lcpp_x) _NOEXCEPT {return ::cbrt((double)__lcpp_x);}
^
/Users/XXX/temp/pyscf/pyscf/lib/build/deps/src/libxcfun/src/taylor/taylor_math.h:261:10: note: candidate function [with T = int]
inline T cbrt(T x)
         ^
/usr/include/math.h:435:15: note: candidate function
extern double cbrt(double);
              ^
/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/include/c++/v1/math.h:1035:46: note: candidate function
inline _LIBCPP_INLINE_VISIBILITY float       cbrt(float __lcpp_x) _NOEXCEPT       {return ::cbrtf(__lcpp_x);}
                                             ^
/Applications/Xcode.app/Contents/Developer/Toolchains/XcodeDefault.xctoolchain/usr/include/c++/v1/math.h:1036:46: note: candidate function
inline _LIBCPP_INLINE_VISIBILITY long double cbrt(long double __lcpp_x) _NOEXCEPT {return ::cbrtl(__lcpp_x);}
                                             ^

[tberkel]

This is not a problem of pyscf, but rather the XCFun library compiled with clang. The issue has come up before in XCFun #22, potentially unique to homebrew installed build tools, and supposedly fixed in XCFun #27.

[chunfuchen]

Thanks, I just use basic functionalities now, after I disable xcfun library, it works well.