diff options
Diffstat (limited to 'science/quantum-espresso/files')
7 files changed, 58 insertions, 60 deletions
diff --git a/science/quantum-espresso/files/patch-CMakeLists.txt b/science/quantum-espresso/files/patch-CMakeLists.txt new file mode 100644 index 000000000000..d315d0c9420b --- /dev/null +++ b/science/quantum-espresso/files/patch-CMakeLists.txt @@ -0,0 +1,25 @@ +--- CMakeLists.txt.orig 2024-03-16 03:53:23 UTC ++++ CMakeLists.txt +@@ -395,14 +395,14 @@ endif(QE_ENABLE_MPI) + ########################################################### + # Git + ########################################################### +-find_package(Git 2.13 REQUIRED) +-if(EXISTS ${qe_SOURCE_DIR}/.git) +- message(STATUS "Source files are cloned from a git repository.") +- set(IS_GIT_PROJECT 1) +- include(GitInfo) +-else() +- message(STATUS "Source files are not cloned from a git repository.") +-endif() ++#find_package(Git 2.13 REQUIRED) ++#if(EXISTS ${qe_SOURCE_DIR}/.git) ++# message(STATUS "Source files are cloned from a git repository.") ++# set(IS_GIT_PROJECT 1) ++# include(GitInfo) ++#else() ++# message(STATUS "Source files are not cloned from a git repository.") ++#endif() + + ########################################################### + # Lapack diff --git a/science/quantum-espresso/files/patch-Makefile b/science/quantum-espresso/files/patch-Makefile deleted file mode 100644 index e66e268f3dbb..000000000000 --- a/science/quantum-espresso/files/patch-Makefile +++ /dev/null @@ -1,16 +0,0 @@ ---- Makefile.orig 2019-03-06 02:33:55 UTC -+++ Makefile -@@ -296,10 +296,10 @@ links : bindir - ############################################################# - - install : -- mkdir -p $(PREFIX)/bin ; \ -+ mkdir -p $(DESTDIR)$(PREFIX)/bin ; \ - for x in `find * ! -path "test-suite/*" -name *.x -type f` ; do \ -- cp -v $$x $(PREFIX)/bin/ ; done -- @echo -e '\nQuantum ESPRESSO binaries are installed in $(PREFIX)/bin\n' -+ cp -v $$x $(DESTDIR)$(PREFIX)/bin/ ; done -+ @echo -e '\nQuantum ESPRESSO binaries are installed in $(DESTDIR)$(PREFIX)/bin\n' - - ######################################################### - # Run test-suite for numerical regression testing diff --git a/science/quantum-espresso/files/patch-clib_stack.c b/science/quantum-espresso/files/patch-clib_stack.c deleted file mode 100644 index a6fcf7db9c19..000000000000 --- a/science/quantum-espresso/files/patch-clib_stack.c +++ /dev/null @@ -1,12 +0,0 @@ ---- clib/stack.c.orig 2018-07-18 19:43:55 UTC -+++ clib/stack.c -@@ -11,6 +11,9 @@ - - #if !defined(__WIN32) - #include <sys/resource.h> -+#if defined(__FreeBSD__) -+#include <sys/types.h> -+#endif - - void remove_stack_limit_(void) { - diff --git a/science/quantum-espresso/files/patch-cmake_GNUFortranCompiler.cmake b/science/quantum-espresso/files/patch-cmake_GNUFortranCompiler.cmake new file mode 100644 index 000000000000..4062ba6f5a3c --- /dev/null +++ b/science/quantum-espresso/files/patch-cmake_GNUFortranCompiler.cmake @@ -0,0 +1,11 @@ +--- cmake/GNUFortranCompiler.cmake.orig 2024-02-29 10:18:05 UTC ++++ cmake/GNUFortranCompiler.cmake +@@ -29,7 +29,7 @@ else() + + target_link_options(qe_openmp_fortran INTERFACE "$<$<LINK_LANGUAGE:Fortran>:${OpenMP_Fortran_FLAGS}>") + else() +- target_compile_options(qe_openmp_fortran INTERFACE "-foffload=disable") ++ target_compile_options(qe_openmp_fortran INTERFACE "--offload=disable") + endif() + + ############################################################ diff --git a/science/quantum-espresso/files/patch-cmake_qeHelpers.cmake b/science/quantum-espresso/files/patch-cmake_qeHelpers.cmake new file mode 100644 index 000000000000..ddfda0524156 --- /dev/null +++ b/science/quantum-espresso/files/patch-cmake_qeHelpers.cmake @@ -0,0 +1,12 @@ +- workaround for https://gitlab.com/QEF/q-e/-/issues/668 + +--- cmake/qeHelpers.cmake.orig 2024-03-16 03:55:17 UTC ++++ cmake/qeHelpers.cmake +@@ -96,6 +96,7 @@ function(qe_git_submodule_update PATH) + endfunction(_qe_add_cuda_link_flags) + + function(qe_git_submodule_update PATH) ++ return() + # validate submodule_commit_hash_records against git database + get_filename_component(SUBMODULE_NAME ${PATH} NAME) + get_filename_component(SUBMODULE_UPPER_DIR ${PATH} DIRECTORY) diff --git a/science/quantum-espresso/files/patch-environment__variables b/science/quantum-espresso/files/patch-environment__variables index ef6a6e1fac27..afa3ad0d0e6d 100644 --- a/science/quantum-espresso/files/patch-environment__variables +++ b/science/quantum-espresso/files/patch-environment__variables @@ -1,38 +1,31 @@ ---- environment_variables.orig 2018-07-04 09:14:20 UTC +--- environment_variables.orig 2024-02-29 10:18:05 UTC +++ environment_variables -@@ -17,11 +17,14 @@ export LC_ALL - - # The following should be good for most cases +@@ -66,12 +66,16 @@ + # For this reason, a plain "diff" of your results against the reference + # data may not work and human inspection of the results may be needed. -PREFIX=`cd ../../.. ; pwd` +if [ -z "$PREFIX" ]; then + echo "Please set the PREFIX environment variable" + exit 1 +fi + # $PREFIX is the root of the Quantum ESPRESSO source tree. BIN_DIR=$PREFIX/bin -PSEUDO_DIR=$PREFIX/pseudo +PSEUDO_DIR=$PREFIX/share/quantum-espresso/pseudo ++ESPRESSO_PSEUDO=/tmp # Beware: everything in $TMP_DIR will be destroyed ! -TMP_DIR=$PREFIX/tempdir +TMP_DIR=/tmp - # There should be no need to change anything below this line - -@@ -57,7 +60,7 @@ fi - # parallelism, do not run on too many processors - PARA_PREFIX=" " --PARA_PREFIX="mpirun -np 4" -+#PARA_PREFIX="mpirun -np 4" - # - # available flags: - # -ni n number of images (or -nimage) -@@ -68,7 +71,7 @@ PARA_PREFIX="mpirun -np 4" + # PARA_PREFIX="mpirun -np 4" +@@ -85,7 +89,7 @@ PARA_PREFIX=" " # -nd n number of processors for linear algebra # (or -ndiag, -northo) - # + -PARA_POSTFIX=" -nk 1 -nd 1 -nb 1 -nt 1 " +#PARA_POSTFIX=" -nk 1 -nd 1 -nb 1 -nt 1 " - # + # The following variables are used for image parallelization of PHonon # (see example in PHonon/examples/Image_example) diff --git a/science/quantum-espresso/files/patch-install_extlibs__makefile b/science/quantum-espresso/files/patch-install_extlibs__makefile deleted file mode 100644 index 5154137a4bf7..000000000000 --- a/science/quantum-espresso/files/patch-install_extlibs__makefile +++ /dev/null @@ -1,15 +0,0 @@ ---- install/extlibs_makefile.orig 2020-11-30 12:57:09 UTC -+++ install/extlibs_makefile -@@ -39,12 +39,6 @@ liblapack : liblapack_$(LAPACK_LIBS_SWITCH) - liblapack_external : - - liblapack_internal: -- $(call download_and_unpack,$(LAPACK_NETLIB_NAME),$(LAPACK_NETLIB_URL),LAPACK,LAPACK) -- if test ! -e ../LAPACK/liblapack.a && test -e make_lapack.inc; then \ -- (cp make_lapack.inc ../LAPACK/make.inc; \ -- cd ../LAPACK; $(MAKE) blaslib lapacklib); else \ -- (echo "no configuration file found for lapack"; \ -- echo "run configure from main QE dir"; exit); fi - lapack_clean: - if test -d ../LAPACK; then (cd ../LAPACK; $(MAKE) clean); fi - lapack_veryclean: |