Compiling Molpro 2023.2 from source on arm64 Macos 15.6

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Ben Kincaid

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Sep 18, 2025, 11:06:41 AMSep 18
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Hello Molpro experts,

I was recently trying to compile from source with version 2023.2 on apple silicon. On the molpro website, there is even a specific example showing how to compile on MacOS 15.5 for arm64 architecture which should pretty much be the exact case I need. Largely following the recipe gets me quite far; however, during the make process, there is a fatal error due to a type mismatch.

Here is the specific error:
../src/aims/RotateInitial.F:117:48:

  117 |       call FMS_dfpmin(angles,3,FPZero,iter,fmin,RM_Func,RM_dFunc)
      |                                                1
......
  192 |       function RM_Func(p) result(chi)
      |      2                                          
Error: Type mismatch at (1) passing global function 'rm_func' declared at (2) (UNKNOWN/REAL(8))
$(FC) -c $(FCFLAGS) -O2 -I. -I../src -Iusr/include ../src/aims/InitialSwarm.F
make[1]: *** [RotateInitial.o] Error 1

In the recipe, it first has one compile Global Arrays and HDF5 then Molpro itself. This specifically happens during the Molpro compilation. I was wondering if anyone has experienced this error and solved it? 

Sincerely,
Ben Kincaid
 
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