X-Git-Url: http://mmka.chem.univ.gda.pl/gitweb/?a=blobdiff_plain;f=source%2Funres%2Fsrc_MD%2FCMakeLists.txt;h=a0353f4eb9ec8a2f3b799e5ef364b2c16dc29463;hb=1606e1ed3e01fa02529bc9121a2583e4328ff69b;hp=b041904a2da9f02b817d09723a072a23aac4d624;hpb=763cc939b1574ff461bdc1c060c1b4ac48b93004;p=unres.git diff --git a/source/unres/src_MD/CMakeLists.txt b/source/unres/src_MD/CMakeLists.txt index b041904..a0353f4 100644 --- a/source/unres/src_MD/CMakeLists.txt +++ b/source/unres/src_MD/CMakeLists.txt @@ -78,12 +78,17 @@ set(UNRES_MD_SRC0 timing.F thread.F unres.F + ssMD.F ) if(Fortran_COMPILER_NAME STREQUAL "ifort") set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng.f ) elseif(Fortran_COMPILER_NAME STREQUAL "mpif90") set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng.f ) +elseif(Fortran_COMPILER_NAME STREQUAL "f95") + set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng.f ) +elseif(Fortran_COMPILER_NAME STREQUAL "gfortran") + set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng.f ) else() set(UNRES_MD_SRC0 ${UNRES_MD_SRC0} prng_32.F ) endif (Fortran_COMPILER_NAME STREQUAL "ifort") @@ -333,7 +338,7 @@ export ELEPAR=$DD/electr_631Gdp.parm export SIDEPAR=$DD/sc_GB_opt.1gab_3S_qclass5no310-shan2-sc-16-10-8k export FOURIER=$DD/fourier_opt.parm.1igd_hc_iter3_3 export SCPPAR=$DD/scp.parm -export SCCORPAR=$DD/rotcorr_AM1.parm +export SCCORPAR=$DD/sccor_pdb_shelly.dat export PATTERN=$DD/patterns.cart #----------------------------------------------------------------------------- $UNRES_BIN