# remove CMAKE_BUILD_TYPE check (beacuse it is set to EasyBuildRelease to avoid -O3 optimization flag) # November 02nd 2018 by B. Hajgato - (Free University Brussels - VUB) diff --new-file -ru psi4-1.2.1.orig/cmake/autocmake_safeguards.cmake psi4-1.2.1/cmake/autocmake_safeguards.cmake --- psi4-1.2.1.orig/cmake/autocmake_safeguards.cmake 2018-07-25 04:11:25.000000000 +0200 +++ psi4-1.2.1/cmake/autocmake_safeguards.cmake 2018-10-30 16:18:26.650251435 +0100 @@ -19,8 +19,8 @@ string(TOLOWER "${CMAKE_BUILD_TYPE}" cmake_build_type_tolower) string(TOUPPER "${CMAKE_BUILD_TYPE}" cmake_build_type_toupper) -if(NOT cmake_build_type_tolower STREQUAL "debug" AND - NOT cmake_build_type_tolower STREQUAL "release" AND - NOT cmake_build_type_tolower STREQUAL "relwithdebinfo") - message(FATAL_ERROR "Unknown build type \"${CMAKE_BUILD_TYPE}\". Allowed values are Debug, Release, RelWithDebInfo (case-insensitive).") -endif() +#if(NOT cmake_build_type_tolower STREQUAL "debug" AND +# NOT cmake_build_type_tolower STREQUAL "release" AND +# NOT cmake_build_type_tolower STREQUAL "relwithdebinfo") +# message(FATAL_ERROR "Unknown build type \"${CMAKE_BUILD_TYPE}\". Allowed values are Debug, Release, RelWithDebInfo (case-insensitive).") +#endif() diff --new-file -ru psi4-1.2.1.orig/external/upstream/gau2grid/CMakeLists.txt psi4-1.2.1/external/upstream/gau2grid/CMakeLists.txt --- psi4-1.2.1.orig/external/upstream/gau2grid/CMakeLists.txt 2018-07-25 04:11:25.000000000 +0200 +++ psi4-1.2.1/external/upstream/gau2grid/CMakeLists.txt 2018-10-30 16:36:23.558755892 +0100 @@ -16,6 +16,7 @@ GIT_REPOSITORY https://github.com/dgasmith/gau2grid GIT_TAG v1.1.0 UPDATE_COMMAND "" + PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} diff --new-file -ru psi4-1.2.1.orig/external/upstream/libint/CMakeLists.txt psi4-1.2.1/external/upstream/libint/CMakeLists.txt --- psi4-1.2.1.orig/external/upstream/libint/CMakeLists.txt 2018-07-25 04:11:25.000000000 +0200 +++ psi4-1.2.1/external/upstream/libint/CMakeLists.txt 2018-10-30 16:40:02.623920471 +0100 @@ -15,6 +15,7 @@ GIT_REPOSITORY https://github.com/evaleev/libint GIT_TAG 024738c # v1.2.1+2 release-1-2-1 UPDATE_COMMAND "" + PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} --- psi4-1.2.1/external/upstream/dkh/CMakeLists.txt.orig 2018-07-25 04:11:25.000000000 +0200 +++ psi4-1.2.1/external/upstream/dkh/CMakeLists.txt 2018-10-31 12:48:38.125438986 +0100 @@ -16,6 +16,7 @@ GIT_REPOSITORY https://github.com/psi4/dkh GIT_TAG v1.2 UPDATE_COMMAND "" + PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} --- psi4-1.2.1/external/upstream/libefp/CMakeLists.txt.orig 2018-07-25 04:11:25.000000000 +0200 +++ psi4-1.2.1/external/upstream/libefp/CMakeLists.txt 2018-10-31 12:59:04.215388286 +0100 @@ -17,6 +17,7 @@ GIT_REPOSITORY https://github.com/ilyak/libefp GIT_TAG 15cd7ce # v1.5.0 + 10 (docs and a cmake lapack patch) UPDATE_COMMAND "" + PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} --- psi4-1.2.1/external/upstream/gdma/CMakeLists.txt.orig 2018-07-25 04:11:25.000000000 +0200 +++ psi4-1.2.1/external/upstream/gdma/CMakeLists.txt 2018-10-31 12:49:20.773048665 +0100 @@ -16,6 +16,7 @@ GIT_REPOSITORY https://github.com/psi4/gdma GIT_TAG 9d607d7 # v2.2.6-2-g9d607d7 UPDATE_COMMAND "" + PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER} --- psi4-1.2.1/external/upstream/libxc/CMakeLists.txt.orig 2018-11-05 10:15:58.840945366 +0100 +++ psi4-1.2.1/external/upstream/libxc/CMakeLists.txt 2018-11-05 10:14:59.248068042 +0100 @@ -15,6 +15,7 @@ GIT_REPOSITORY https://github.com/psi4/libxc GIT_TAG libxc4retweaked # v4.0 (0387b1d1) + !62 + MVS corr + 4.0.2 bump + 2 build commits = c754e28 UPDATE_COMMAND "" + PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX} -DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE} -DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}