Compiling using CMake is broken

[Florent Hédin]

Dear Jay, dear all,

This issue was observed with the last commit of branch release.

We try to compile tinker using CMake as following:

mkdir build && cd build
cmake ../cmake
make

CMake complains that module expol is not found:

/tmp/tinker/source/alterpol.f:59:10:

59 |       use expol
|          1
Fatal Error: Cannot open module file '**expol.mod**' for reading at (1): No such file or directory
compilation terminated.
make[2]: *** [CMakeFiles/tinker.dir/build.make:127: CMakeFiles/tinker.dir/tmp/tinker/source/alterpol.f.o] Error 1
make[1]: *** [CMakeFiles/Makefile2:211: CMakeFiles/tinker.dir/all] Error 2
make: *** [Makefile:136: all] Error 2

It seems that expol was not listed in the file CMakeLists.txt; here is a patch that fixed the problem:

diff --git a/cmake/CMakeLists.txt b/cmake/CMakeLists.txt
index 61e06340..b02a74d5 100644
--- a/cmake/CMakeLists.txt
+++ b/cmake/CMakeLists.txt
@@ -120,7 +120,7 @@ set(_FILES
     erxnfld1 erxnfld2 erxnfld3 esolv esolv1 esolv2 esolv3 estrbnd
     estrbnd1 estrbnd2 estrbnd3 estrtor estrtor1 estrtor2 estrtor3 etors
     etors1 etors2 etors3 etortor etortor1 etortor2 etortor3 eurey eurey1
-    eurey2 eurey3 evcorr ewald extra extra1 extra2 extra3 faces fatal
+    eurey2 eurey3 evcorr ewald expol extra extra1 extra2 extra3 faces fatal
     fft fft3d fftpack field fields files final flatten fracs freeunit
     freeze geometry getarc getcart getdcd getint getkey getmol getmol2
     getnumb getpdb getprm getref getstring gettext getword getxyz

Best regards,

Florent & Daniele & Evgeny from Qubit Pharmaceuticals

[Jay Ponder]

Thanks. This is fixed in the recent commits to Tinker.