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https://code.it4i.cz/sccs/easyconfigs-it4i.git
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62f6a24257
new file: b/Boost/Boost-1.68.0-intel-2017c-Py-2.7.eb new file: c/CMake/CMake-3.14.1-intel-2017c.eb new file: c/CheMPS2/CheMPS2-1.8.9-intel-2017c.eb new file: d/decorator/decorator-4.4.0-Py-2.7.eb new file: d/deepdiff/deepdiff-3.3.0-Py-2.7.eb new file: d/deepdiff/deepdiff-4.0.6-Py-2.7.eb new file: g/GLM/GLM-0.9.9.0-GCCcore-6.3.0.eb new file: h/HDF5/HDF5-1.10.4-intel-2017c-parallel.eb new file: h/HDF5/HDF5-1.10.4-intel-2017c.eb modified: l/libGLU/libGLU-9.0.0.eb modified: l/libpng/libpng-1.6.29.eb new file: m/MATIO/MATIO-1.5.12-GCCcore-6.3.0.eb new file: n/netCDF/netCDF-4.6.1-intel-2017c.eb new file: n/networkx/networkx-2.2-Py-2.7.eb new file: n/networkx/networkx-2.3-Py-2.7.eb new file: p/PSI4/PSI4-1.2.1-intel-2017c-Py-2.7.eb new file: p/PSI4/PSI4-1.2.1_fix_cmake_release.patch new file: p/ParMETIS/ParMETIS-4.0.3-intel-2017c.eb new file: p/pluggy/pluggy-0.9.0-Py-2.7.eb new file: p/pytest/pytest-4.4.0-Py-2.7.eb modified: r/R/R-3.5.3-intel-2017a.eb new file: s/SCOTCH/SCOTCH-6.0.6-intel-2017c.eb new file: s/SuiteSparse/SuiteSparse-5.1.2-intel-2017c-METIS-5.1.0.eb new file: s/SuiteSparse/SuiteSparse-5.4.0-intel-2017c-METIS-5.1.0.eb new file: s/six/six-1.12.0-Py-2.7.eb new file: t/Trilinos/Trilinos-12.12.1-intel-2017c-Py-2.7.eb
82 lines
5.2 KiB
Diff
82 lines
5.2 KiB
Diff
# remove CMAKE_BUILD_TYPE check (beacuse it is set to EasyBuildRelease to avoid -O3 optimization flag)
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# November 02nd 2018 by B. Hajgato - (Free University Brussels - VUB)
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diff --new-file -ru psi4-1.2.1.orig/cmake/autocmake_safeguards.cmake psi4-1.2.1/cmake/autocmake_safeguards.cmake
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--- psi4-1.2.1.orig/cmake/autocmake_safeguards.cmake 2018-07-25 04:11:25.000000000 +0200
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+++ psi4-1.2.1/cmake/autocmake_safeguards.cmake 2018-10-30 16:18:26.650251435 +0100
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@@ -19,8 +19,8 @@
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string(TOLOWER "${CMAKE_BUILD_TYPE}" cmake_build_type_tolower)
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string(TOUPPER "${CMAKE_BUILD_TYPE}" cmake_build_type_toupper)
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-if(NOT cmake_build_type_tolower STREQUAL "debug" AND
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- NOT cmake_build_type_tolower STREQUAL "release" AND
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- NOT cmake_build_type_tolower STREQUAL "relwithdebinfo")
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- message(FATAL_ERROR "Unknown build type \"${CMAKE_BUILD_TYPE}\". Allowed values are Debug, Release, RelWithDebInfo (case-insensitive).")
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-endif()
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+#if(NOT cmake_build_type_tolower STREQUAL "debug" AND
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+# NOT cmake_build_type_tolower STREQUAL "release" AND
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+# NOT cmake_build_type_tolower STREQUAL "relwithdebinfo")
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+# message(FATAL_ERROR "Unknown build type \"${CMAKE_BUILD_TYPE}\". Allowed values are Debug, Release, RelWithDebInfo (case-insensitive).")
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+#endif()
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diff --new-file -ru psi4-1.2.1.orig/external/upstream/gau2grid/CMakeLists.txt psi4-1.2.1/external/upstream/gau2grid/CMakeLists.txt
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--- psi4-1.2.1.orig/external/upstream/gau2grid/CMakeLists.txt 2018-07-25 04:11:25.000000000 +0200
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+++ psi4-1.2.1/external/upstream/gau2grid/CMakeLists.txt 2018-10-30 16:36:23.558755892 +0100
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@@ -16,6 +16,7 @@
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GIT_REPOSITORY https://github.com/dgasmith/gau2grid
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GIT_TAG v1.1.0
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UPDATE_COMMAND ""
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+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
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CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
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-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
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-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
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diff --new-file -ru psi4-1.2.1.orig/external/upstream/libint/CMakeLists.txt psi4-1.2.1/external/upstream/libint/CMakeLists.txt
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--- psi4-1.2.1.orig/external/upstream/libint/CMakeLists.txt 2018-07-25 04:11:25.000000000 +0200
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+++ psi4-1.2.1/external/upstream/libint/CMakeLists.txt 2018-10-30 16:40:02.623920471 +0100
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@@ -15,6 +15,7 @@
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GIT_REPOSITORY https://github.com/evaleev/libint
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GIT_TAG 024738c # v1.2.1+2 release-1-2-1
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UPDATE_COMMAND ""
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+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
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CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
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-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
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-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
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--- psi4-1.2.1/external/upstream/dkh/CMakeLists.txt.orig 2018-07-25 04:11:25.000000000 +0200
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+++ psi4-1.2.1/external/upstream/dkh/CMakeLists.txt 2018-10-31 12:48:38.125438986 +0100
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@@ -16,6 +16,7 @@
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GIT_REPOSITORY https://github.com/psi4/dkh
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GIT_TAG v1.2
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UPDATE_COMMAND ""
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+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
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CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
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-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
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-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
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--- psi4-1.2.1/external/upstream/libefp/CMakeLists.txt.orig 2018-07-25 04:11:25.000000000 +0200
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+++ psi4-1.2.1/external/upstream/libefp/CMakeLists.txt 2018-10-31 12:59:04.215388286 +0100
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@@ -17,6 +17,7 @@
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GIT_REPOSITORY https://github.com/ilyak/libefp
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GIT_TAG 15cd7ce # v1.5.0 + 10 (docs and a cmake lapack patch)
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UPDATE_COMMAND ""
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+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
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CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
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-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
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-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
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--- psi4-1.2.1/external/upstream/gdma/CMakeLists.txt.orig 2018-07-25 04:11:25.000000000 +0200
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+++ psi4-1.2.1/external/upstream/gdma/CMakeLists.txt 2018-10-31 12:49:20.773048665 +0100
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@@ -16,6 +16,7 @@
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GIT_REPOSITORY https://github.com/psi4/gdma
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GIT_TAG 9d607d7 # v2.2.6-2-g9d607d7
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UPDATE_COMMAND ""
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+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
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CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
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-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
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-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
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--- psi4-1.2.1/external/upstream/libxc/CMakeLists.txt.orig 2018-11-05 10:15:58.840945366 +0100
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+++ psi4-1.2.1/external/upstream/libxc/CMakeLists.txt 2018-11-05 10:14:59.248068042 +0100
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@@ -15,6 +15,7 @@
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GIT_REPOSITORY https://github.com/psi4/libxc
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GIT_TAG libxc4retweaked # v4.0 (0387b1d1) + !62 + MVS corr + 4.0.2 bump + 2 build commits = c754e28
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UPDATE_COMMAND ""
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+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
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CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${CMAKE_INSTALL_PREFIX}
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-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
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-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
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