mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-07 15:32:11 +01:00
1c17ee3f13
new file: c/CheMPS2/CheMPS2-1.8.9-intel-2020a.eb new file: d/deepdiff/deepdiff-4.0.6-Py-3.6.eb new file: g/GlobalArrays/GlobalArrays-5.7-intel-2020a.eb new file: h/HDF5/HDF5-1.10.6-intel-2017c.eb modified: h/HDF5/HDF5-1.10.6-intel-2020a.eb new file: o/OpenMolcas/OpenMolcas-18.09-intel-2020a-Py-3.7.eb new file: o/OpenMolcas/OpenMolcas-pymolcas_only_in_ebprefix.patch modified: p/PSI4/PSI4-1.2.1-intel-2017c-Py-2.7.eb new file: p/PSI4/PSI4-1.3.2-intel-2017c-Py-3.6.eb new file: p/PSI4/PSI4-1.3.2_fix_cmake_release.patch new file: p/pint/Pint-0.11-Py-3.6.eb new file: p/pluggy/pluggy-0.13.1-Py-3.6.eb new file: p/pydantic/pydantic-1.4-Py-3.6.eb new file: p/pyparsing/pyparsing-2.2.0-Py-3.7.eb new file: p/pytest/pytest-5.3.5-Py-3.6.eb new file: v/Valgrind/Valgrind-3.15.0-intel-2017c.eb
80 lines
5.0 KiB
Diff
80 lines
5.0 KiB
Diff
# 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()
|
|
--- psi4-1.3.2/external/upstream/gau2grid/CMakeLists.txt.orig 2020-02-26 15:12:45.568705619 +0100
|
|
+++ psi4-1.3.2/external/upstream/gau2grid/CMakeLists.txt 2020-02-26 15:13:58.557828579 +0100
|
|
@@ -16,6 +16,7 @@
|
|
GIT_REPOSITORY https://github.com/dgasmith/gau2grid
|
|
GIT_TAG v1.3.1
|
|
UPDATE_COMMAND ""
|
|
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
|
|
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${STAGED_INSTALL_PREFIX}
|
|
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
|
|
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
|
|
--- psi4-1.3.2/external/upstream/libint/CMakeLists.txt.orig 2020-02-26 15:21:03.800544908 +0100
|
|
+++ psi4-1.3.2/external/upstream/libint/CMakeLists.txt 2020-02-26 15:21:35.135596439 +0100
|
|
@@ -14,6 +14,7 @@
|
|
ExternalProject_Add(libint_external
|
|
# "git checkout" fails on Windows, because of "*" in filenames (e.g. basis set files)
|
|
URL https://github.com/evaleev/libint/archive/b13e71d3cf9960460c4019e5ecf2546a5f361c71.zip
|
|
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
|
|
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${STAGED_INSTALL_PREFIX}
|
|
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
|
|
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
|
|
--- psi4-1.3.2/external/upstream/dkh/CMakeLists.txt.orig 2020-02-26 15:21:03.800544908 +0100
|
|
+++ psi4-1.3.2/external/upstream/dkh/CMakeLists.txt 2020-02-26 15:22:43.749709277 +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=${STAGED_INSTALL_PREFIX}
|
|
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
|
|
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
|
|
--- psi4-1.3.2/external/upstream/libefp/CMakeLists.txt.orig 2020-02-26 15:21:03.800544908 +0100
|
|
+++ psi4-1.3.2/external/upstream/libefp/CMakeLists.txt 2020-02-26 15:23:21.038770601 +0100
|
|
@@ -17,6 +17,7 @@
|
|
GIT_REPOSITORY https://github.com/ilyak/libefp
|
|
GIT_TAG 15cd7ce # v1.5.0 + 10 (docs and a cmake lapack patch)
|
|
UPDATE_COMMAND ""
|
|
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
|
|
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${STAGED_INSTALL_PREFIX}
|
|
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
|
|
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
|
|
--- psi4-1.3.2/external/upstream/gdma/CMakeLists.txt.orig 2020-02-26 15:21:03.800544908 +0100
|
|
+++ psi4-1.3.2/external/upstream/gdma/CMakeLists.txt 2020-02-26 15:24:08.662848920 +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=${STAGED_INSTALL_PREFIX}
|
|
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
|
|
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
|
|
--- psi4-1.3.2/external/upstream/libxc/CMakeLists.txt.orig 2020-02-26 15:21:03.801544909 +0100
|
|
+++ psi4-1.3.2/external/upstream/libxc/CMakeLists.txt 2020-02-26 15:24:46.702911478 +0100
|
|
@@ -15,6 +15,7 @@
|
|
GIT_REPOSITORY https://gitlab.com/libxc/libxc.git
|
|
GIT_TAG 4.3.3
|
|
UPDATE_COMMAND ""
|
|
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
|
|
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${STAGED_INSTALL_PREFIX}
|
|
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
|
|
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
|