easyconfigs-it4i/p/PSI4/PSI4-1.8.1_fix_cmake_release.patch
Lukas Krupcik 95ef534416 new file: c/CheMPS2/CheMPS2-1.8.12-foss-2022b.eb
new file:   n/networkx/networkx-3.1-foss-2022b.eb
	modified:   o/OpenMPI/OpenMPI-4.1.4-GCC-12.2.0.eb
	new file:   p/PSI4/PSI4-1.7-foss-2021b.eb
	new file:   p/PSI4/PSI4-1.8.1-foss-2022b.eb
	new file:   p/PSI4/PSI4-1.8.1_fix_cmake_release.patch
	new file:   p/PSI4/PSI4-1.8.1_fix_snsmp2_version.patch
	new file:   p/pytest/pytest-7.2.2-GCCcore-12.2.0.eb
	new file:   s/SciPy-bundle/SciPy-bundle-2023.02-foss-2022b.eb
2023-08-29 09:26:56 +02:00

89 lines
5.5 KiB
Diff

--- cmake/autocmake_safeguards.cmake.orig 2023-08-29 08:57:24.929815366 +0200
+++ cmake/autocmake_safeguards.cmake 2023-08-29 08:57:42.642543863 +0200
@@ -19,9 +19,9 @@
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 "minsizerel" AND
- NOT cmake_build_type_tolower STREQUAL "relwithdebinfo")
- message(FATAL_ERROR "Unknown build type \"${CMAKE_BUILD_TYPE}\". Allowed values are Debug, Release, RelWithDebInfo, MinSizeRel (case-insensitive).")
-endif()
+#if(NOT cmake_build_type_tolower STREQUAL "debug" AND
+# NOT cmake_build_type_tolower STREQUAL "release" AND
+# NOT cmake_build_type_tolower STREQUAL "minsizerel" AND
+# NOT cmake_build_type_tolower STREQUAL "relwithdebinfo")
+# message(FATAL_ERROR "Unknown build type \"${CMAKE_BUILD_TYPE}\". Allowed values are Debug, Release, RelWithDebInfo, MinSizeRel (case-insensitive).")
+#endif()
--- external/upstream/dkh/CMakeLists.txt.orig 2023-08-29 08:59:24.865976968 +0200
+++ external/upstream/dkh/CMakeLists.txt 2023-08-29 08:59:10.778192908 +0200
@@ -16,6 +16,7 @@
DEPENDS lapack_external
URL https://github.com/psi4/dkh/archive/319b320.tar.gz # v1.2 + cmake
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=${CMAKE_C_COMPILER}
--- external/upstream/gau2grid/CMakeLists.txt.orig 2023-08-29 09:00:01.516415185 +0200
+++ external/upstream/gau2grid/CMakeLists.txt 2023-08-29 09:00:15.698197805 +0200
@@ -15,6 +15,7 @@
DEPENDS pybind11_external
URL https://github.com/dgasmith/gau2grid/archive/v2.0.7.tar.gz
UPDATE_COMMAND ""
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${STAGED_INSTALL_PREFIX}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
--- external/upstream/gdma/CMakeLists.txt.orig 2023-08-29 09:01:04.198454386 +0200
+++ external/upstream/gdma/CMakeLists.txt 2023-08-29 09:01:17.107256518 +0200
@@ -15,6 +15,7 @@
ExternalProject_Add(gdma_external
URL https://github.com/psi4/gdma/archive/9d607d7.tar.gz # 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=${CMAKE_C_COMPILER}
--- external/upstream/libefp/CMakeLists.txt.orig 2023-08-29 09:01:45.749817481 +0200
+++ external/upstream/libefp/CMakeLists.txt 2023-08-29 09:01:59.741603013 +0200
@@ -16,6 +16,7 @@
DEPENDS lapack_external
URL https://github.com/ilyak/libefp/archive/15cd7ce.tar.gz # v1.5.0 + 10 (docs and a cmake lapack patch)
UPDATE_COMMAND ""
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${STAGED_INSTALL_PREFIX}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
--- external/upstream/libint/CMakeLists.txt.orig 2023-08-29 09:02:25.014215631 +0200
+++ external/upstream/libint/CMakeLists.txt 2023-08-29 09:02:53.398780549 +0200
@@ -15,6 +15,7 @@
ExternalProject_Add(libint_external
# "git checkout" fails on Windows, because of "*" in filenames (e.g. basis set files)
URL https://github.com/loriab/libint/archive/libint_t.tar.gz
+ 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=${CMAKE_C_COMPILER}
--- external/upstream/libxc/CMakeLists.txt.orig 2023-08-29 09:03:24.575302187 +0200
+++ external/upstream/libxc/CMakeLists.txt 2023-08-29 09:04:04.574688274 +0200
@@ -23,6 +23,7 @@
#GIT_REPOSITORY https://gitlab.com/libxc/libxc.git
#GIT_TAG 5.1.5
#UPDATE_COMMAND ""
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/autocmake_safeguards.cmake
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${STAGED_INSTALL_PREFIX}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}
-DCMAKE_C_COMPILER=${CMAKE_C_COMPILER}
--- external/upstream/pcmsolver/CMakeLists.txt.orig 2023-08-29 09:04:35.121219443 +0200
+++ external/upstream/pcmsolver/CMakeLists.txt 2023-08-29 09:05:03.454784578 +0200
@@ -27,6 +27,7 @@
#URL https://github.com/PCMSolver/pcmsolver/archive/v1.3.1.tar.gz
#URL https://github.com/loriab/pcmsolver/archive/v1211.tar.gz
URL https://github.com/loriab/pcmsolver/archive/v123_plus_ming.tar.gz
+ PATCH_COMMAND sed -e "s/debug/easybuildrelease/" -i cmake/downloaded/autocmake_safeguards.cmake
UPDATE_COMMAND ""
CMAKE_ARGS -DCMAKE_INSTALL_PREFIX=${STAGED_INSTALL_PREFIX}
-DCMAKE_BUILD_TYPE=${CMAKE_BUILD_TYPE}