Date: Wed, 4 Sep 2024 08:08:34 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: c9760b11193d - main - science/cp2k: Remove gcc version from include paths Message-ID: <202409040808.48488YAf020987@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=c9760b11193d51b948f97d4664621a4c6c610cee commit c9760b11193d51b948f97d4664621a4c6c610cee Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2024-09-04 07:49:15 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2024-09-04 08:08:17 +0000 science/cp2k: Remove gcc version from include paths PR: 281244 Reported by: Lorenzo Salvadore <salvadore@freebsd.org> --- science/cp2k/Makefile | 1 + science/cp2k/files/patch-Makefile | 71 - .../files/patch-cmake_CompilerConfiguration.cmake | 11 + science/cp2k/files/patch-cmake_libcp2k.pc.in | 9 + science/cp2k/files/patch-exts_Makefile.inc | 29 - .../cp2k/files/patch-exts_build__dbcsr_Makefile | 11 - science/cp2k/files/patch-src_CMakeLists.txt | 11 + science/cp2k/pkg-plist | 2454 ++++++++++---------- 8 files changed, 1259 insertions(+), 1338 deletions(-) diff --git a/science/cp2k/Makefile b/science/cp2k/Makefile index 2a5c64abb998..bf80e89aabb5 100644 --- a/science/cp2k/Makefile +++ b/science/cp2k/Makefile @@ -1,6 +1,7 @@ PORTNAME= cp2k DISTVERSIONPREFIX= v DISTVERSION= 2024.2 +PORTREVISION= 1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/cp2k/files/patch-Makefile b/science/cp2k/files/patch-Makefile deleted file mode 100644 index c893b9612a41..000000000000 --- a/science/cp2k/files/patch-Makefile +++ /dev/null @@ -1,71 +0,0 @@ ---- Makefile.orig 2024-08-06 12:33:49 UTC -+++ Makefile -@@ -11,7 +11,7 @@ endif - export CP2KHOME - endif - --ARCH := local -+XARCH := local - export VERSION=ssmp - - MAKEFILE := $(CP2KHOME)/Makefile -@@ -26,7 +26,7 @@ SRCDIR := $(CP2KHOME)/src - DOXIFYOBJDIR := $(CP2KHOME)/obj/doxified - TOOLSRC := $(CP2KHOME)/tools - SRCDIR := $(CP2KHOME)/src --EXEDIR := $(MAINEXEDIR)/$(ARCH) -+EXEDIR := $(MAINEXEDIR)/$(XARCH) - REVISION := $(shell $(CP2KHOME)/tools/build_utils/get_revision_number $(SRCDIR)) - - EXTSDIR := exts -@@ -48,15 +48,15 @@ MODDEPS = "lower" - # this only happens on stage 3 and 4 - ifneq ($(ONEVERSION),) - MODDEPS = "lower" --include $(ARCHDIR)/$(ARCH).$(ONEVERSION) --LIBDIR := $(MAINLIBDIR)/$(ARCH)/$(ONEVERSION) -+include $(ARCHDIR)/$(XARCH).$(ONEVERSION) -+LIBDIR := $(MAINLIBDIR)/$(XARCH)/$(ONEVERSION) - PKGCONFIGDIR := $(LIBDIR)/pkgconfig - PKGCONFIG := $(PKGCONFIGDIR)/libcp2k.pc - LIBEXTSDIR := $(LIBDIR)/$(EXTSDIR) --OBJDIR := $(MAINOBJDIR)/$(ARCH)/$(ONEVERSION) -+OBJDIR := $(MAINOBJDIR)/$(XARCH)/$(ONEVERSION) - OBJEXTSDIR := $(OBJDIR)/$(EXTSDIR) - OBJEXTSINCL := $(foreach dir,$(EXTSPACKAGES),-I'$(OBJEXTSDIR)/$(dir)') --TSTDIR := $(MAINTSTDIR)/$(ARCH)/$(ONEVERSION) -+TSTDIR := $(MAINTSTDIR)/$(XARCH)/$(ONEVERSION) - ifneq ($(LD_SHARED),) - ARCHIVE_EXT := .so - else -@@ -147,7 +147,7 @@ test: dirs makedep all - - # compilation for testing happens here - test: dirs makedep all -- @$(TOOLSRC)/regtesting/print_environment.sh $(ARCH) $(ONEVERSION) -+ @$(TOOLSRC)/regtesting/print_environment.sh $(XARCH) $(ONEVERSION) - @+$(MAKE) --no-print-directory -C $(TSTDIR) -f $(MAKEFILE) test INCLUDE_DEPS=true - - testbg: dirs makedep all -@@ -310,9 +310,9 @@ clean: - $(shell test -d $(1) && find $(1) -type f -name "*.*" ! -name "*.gcda" | sed 's|.*\.||' | sort -u) - endef - clean: -- @echo rm -rf $(foreach v, $(VERSION), $(MAINOBJDIR)/$(ARCH)/$(v)) -- @$(foreach v, $(VERSION), $(foreach ext, $(call get_extensions, $(MAINOBJDIR)/$(ARCH)/$(v)/), $(shell rm -rf $(MAINOBJDIR)/$(ARCH)/$(v)/*.$(ext)))) -- rm -rf $(foreach v, $(VERSION), $(MAINLIBDIR)/$(ARCH)/$(v)) -+ @echo rm -rf $(foreach v, $(VERSION), $(MAINOBJDIR)/$(XARCH)/$(v)) -+ @$(foreach v, $(VERSION), $(foreach ext, $(call get_extensions, $(MAINOBJDIR)/$(XARCH)/$(v)/), $(shell rm -rf $(MAINOBJDIR)/$(XARCH)/$(v)/*.$(ext)))) -+ rm -rf $(foreach v, $(VERSION), $(MAINLIBDIR)/$(XARCH)/$(v)) - OTHER_HELP += "clean : Remove intermediate object and mod files, but not the libraries and executables, for given ARCH and VERSION" - - # The Intel compiler creates a corresponding .dbg file for each executable when static linking of the Intel MPI library is requested (flag -static_mpi) -@@ -499,7 +499,7 @@ cp2k_info.o: $(GIT_REF) - cp2k_info.o: $(GIT_REF) - - # Add some practical metadata about the build. --FCFLAGS += -D__COMPILE_ARCH="\"$(ARCH)\""\ -+FCFLAGS += -D__COMPILE_ARCH="\"$(XARCH)\""\ - -D__COMPILE_DATE="\"$(shell date)\""\ - -D__COMPILE_HOST="\"$(shell hostname 2>/dev/null || hostnamectl --transient)\""\ - -D__COMPILE_REVISION="\"$(strip $(REVISION))\""\ diff --git a/science/cp2k/files/patch-cmake_CompilerConfiguration.cmake b/science/cp2k/files/patch-cmake_CompilerConfiguration.cmake new file mode 100644 index 000000000000..1ec302774635 --- /dev/null +++ b/science/cp2k/files/patch-cmake_CompilerConfiguration.cmake @@ -0,0 +1,11 @@ +--- cmake/CompilerConfiguration.cmake.orig 2024-09-04 05:25:49 UTC ++++ cmake/CompilerConfiguration.cmake +@@ -35,7 +35,7 @@ add_compile_options( + # https://github.com/cp2k/dbcsr/issues/261 eventually check compiler version + # (similar to -h system_alloc) + add_compile_options( +- "$<$<COMPILE_LANG_AND_ID:Fortran,GNU>:-mtune=native;-ffree-line-length-512;-ffree-form;-std=f2008;-fimplicit-none;-Werror=aliasing;-Werror=ampersand;-Werror=c-binding-type;-Werror=conversion;-Werror=intrinsic-shadow;-Werror=intrinsics-std;-Werror=line-truncation;-Werror=tabs;-Werror=target-lifetime;-Werror=underflow;-Werror=unused-but-set-variable;-Werror=unused-variable>" ++ "$<$<COMPILE_LANG_AND_ID:Fortran,GNU>:-ffree-line-length-512;-ffree-form;-std=f2008;-fimplicit-none;-Werror=aliasing;-Werror=ampersand;-Werror=c-binding-type;-Werror=conversion;-Werror=intrinsic-shadow;-Werror=intrinsics-std;-Werror=line-truncation;-Werror=tabs;-Werror=target-lifetime;-Werror=underflow;-Werror=unused-but-set-variable;-Werror=unused-variable>" + "$<$<AND:$<COMPILE_LANG_AND_ID:Fortran,GNU>,$<VERSION_GREATER_EQUAL:${CMAKE_Fortran_COMPILER_VERSION},11>>:-fallow-argument-mismatch>" + "$<$<COMPILE_LANG_AND_ID:Fortran,Intel>:-free -stand=f18 -fpp -heap-arrays>" + "$<$<COMPILE_LANG_AND_ID:Fortran,PGI>:-Mfreeform -Mextend -Mallocatable=03>" diff --git a/science/cp2k/files/patch-cmake_libcp2k.pc.in b/science/cp2k/files/patch-cmake_libcp2k.pc.in new file mode 100644 index 000000000000..1b0d86ae914b --- /dev/null +++ b/science/cp2k/files/patch-cmake_libcp2k.pc.in @@ -0,0 +1,9 @@ +--- cmake/libcp2k.pc.in.orig 2024-09-04 05:33:26 UTC ++++ cmake/libcp2k.pc.in +@@ -7,5 +7,5 @@ Version: @PROJECT_VERSION@ + Description: @CMAKE_PROJECT_DESCRIPTION@ + URL: @CMAKE_PROJECT_HOMEPAGE_URL@ + Version: @PROJECT_VERSION@ +-Cflags: -I"${includedir}/cp2k" -I"${includedir}/cp2k/@CMAKE_Fortran_COMPILER_ID@-@CMAKE_Fortran_COMPILER_VERSION@" ++Cflags: -I"${includedir}/cp2k" -I"${includedir}/cp2k" + Libs: -L"${libdir}" -lcp2k diff --git a/science/cp2k/files/patch-exts_Makefile.inc b/science/cp2k/files/patch-exts_Makefile.inc deleted file mode 100644 index 55c1390edab4..000000000000 --- a/science/cp2k/files/patch-exts_Makefile.inc +++ /dev/null @@ -1,29 +0,0 @@ ---- exts/Makefile.inc.orig 2024-08-06 12:33:49 UTC -+++ exts/Makefile.inc -@@ -36,7 +36,7 @@ dbcsr: - - dbcsr: - +$(MAKE) -C $(EXTSHOME)/$@ -f $(EXTSHOME)/build_$@/Makefile \ -- ARCHFILE=$(ARCHDIR)/$(ARCH).$(ONEVERSION) \ -+ ARCHFILE=$(ARCHDIR)/$(XARCH).$(ONEVERSION) \ - LIBDIR=$(LIBEXTSDIR)/$@ \ - OBJDIR=$(OBJEXTSDIR)/$@ \ - USE_ACCEL="$(DBCSR_USE_ACCEL)" \ -@@ -45,7 +45,7 @@ dbcsrversion: - - dbcsrversion: - @$(MAKE) -C $(EXTSHOME)/dbcsr -f $(EXTSHOME)/build_dbcsr/Makefile \ -- ARCHFILE=$(ARCHDIR)/$(ARCH).$(ONEVERSION) \ -+ ARCHFILE=$(ARCHDIR)/$(XARCH).$(ONEVERSION) \ - USE_ACCEL="$(DBCSR_USE_ACCEL)" \ - ACC="$(DBCSR_ACC)" \ - ACCFLAGS="$(strip $(DBCSR_ACCFLAGS))" \ -@@ -54,7 +54,7 @@ dbcsrclean: - dbcsrclean: - @echo "Clean DBCSR" - @$(MAKE) -C $(EXTSHOME)/dbcsr -f $(EXTSHOME)/build_dbcsr/Makefile \ -- ARCHFILE=$(ARCHDIR)/$(ARCH).$(ONEVERSION) \ -+ ARCHFILE=$(ARCHDIR)/$(XARCH).$(ONEVERSION) \ - LIBDIR=$(LIBEXTSDIR)/$@ \ - OBJDIR=$(OBJEXTSDIR)/$@ \ - USE_ACCEL="$(DBCSR_USE_ACCEL)" \ diff --git a/science/cp2k/files/patch-exts_build__dbcsr_Makefile b/science/cp2k/files/patch-exts_build__dbcsr_Makefile deleted file mode 100644 index 5ec1610fd645..000000000000 --- a/science/cp2k/files/patch-exts_build__dbcsr_Makefile +++ /dev/null @@ -1,11 +0,0 @@ ---- exts/build_dbcsr/Makefile.orig 2024-08-06 12:33:49 UTC -+++ exts/build_dbcsr/Makefile -@@ -47,7 +47,7 @@ TOOLSDIR := $(DBCSRHOME)/tools - LIBDIR := $(DBCSRHOME)/lib - OBJDIR := $(DBCSRHOME)/obj - TOOLSDIR := $(DBCSRHOME)/tools --FYPPEXE := $(TOOLSDIR)/build_utils/fypp/bin/fypp -+FYPPEXE := $(PREFIX)/bin/fypp - SRCDIR := $(DBCSRHOME)/src - TESTSDIR := $(DBCSRHOME)/tests - ARCHFILE := diff --git a/science/cp2k/files/patch-src_CMakeLists.txt b/science/cp2k/files/patch-src_CMakeLists.txt new file mode 100644 index 000000000000..ff49d9c56d1f --- /dev/null +++ b/science/cp2k/files/patch-src_CMakeLists.txt @@ -0,0 +1,11 @@ +--- src/CMakeLists.txt.orig 2024-09-04 05:09:22 UTC ++++ src/CMakeLists.txt +@@ -1840,7 +1840,7 @@ if(NOT CMAKE_INSTALL_Fortran_MODULES) + + if(NOT CMAKE_INSTALL_Fortran_MODULES) + set(CMAKE_INSTALL_Fortran_MODULES +- "${CMAKE_INSTALL_INCLUDEDIR}/${PROJECT_NAME}/${CMAKE_Fortran_COMPILER_ID}-${CMAKE_Fortran_COMPILER_VERSION}/mod_files" ++ "${CMAKE_INSTALL_INCLUDEDIR}/${PROJECT_NAME}/mod_files" + ) + endif() + diff --git a/science/cp2k/pkg-plist b/science/cp2k/pkg-plist index b1fc80601e83..cab53f4c313f 100644 --- a/science/cp2k/pkg-plist +++ b/science/cp2k/pkg-plist @@ -11,1233 +11,1233 @@ bin/memory_utilities_unittest%%SUFFIX%% bin/nequip_unittest%%SUFFIX%% bin/parallel_rng_types_unittest%%SUFFIX%% bin/xyz2dcd%%SUFFIX%% -include/cp2k/GNU-13.2.0/mod_files/admm_dm_methods.mod -include/cp2k/GNU-13.2.0/mod_files/admm_dm_types.mod -include/cp2k/GNU-13.2.0/mod_files/admm_methods.mod -include/cp2k/GNU-13.2.0/mod_files/admm_types.mod -include/cp2k/GNU-13.2.0/mod_files/admm_utils.mod -include/cp2k/GNU-13.2.0/mod_files/ai_angmom.mod -include/cp2k/GNU-13.2.0/mod_files/ai_contraction.mod -include/cp2k/GNU-13.2.0/mod_files/ai_contraction_sphi.mod -include/cp2k/GNU-13.2.0/mod_files/ai_coulomb.mod -include/cp2k/GNU-13.2.0/mod_files/ai_coulomb_test.mod -include/cp2k/GNU-13.2.0/mod_files/ai_derivatives.mod -include/cp2k/GNU-13.2.0/mod_files/ai_elec_field.mod -include/cp2k/GNU-13.2.0/mod_files/ai_eri_debug.mod -include/cp2k/GNU-13.2.0/mod_files/ai_fermi_contact.mod -include/cp2k/GNU-13.2.0/mod_files/ai_kinetic.mod -include/cp2k/GNU-13.2.0/mod_files/ai_moments.mod -include/cp2k/GNU-13.2.0/mod_files/ai_onecenter.mod -include/cp2k/GNU-13.2.0/mod_files/ai_oneelectron.mod -include/cp2k/GNU-13.2.0/mod_files/ai_operator_ra2m.mod -include/cp2k/GNU-13.2.0/mod_files/ai_operators_r12.mod -include/cp2k/GNU-13.2.0/mod_files/ai_os_rr.mod -include/cp2k/GNU-13.2.0/mod_files/ai_overlap.mod -include/cp2k/GNU-13.2.0/mod_files/ai_overlap3.mod -include/cp2k/GNU-13.2.0/mod_files/ai_overlap3_debug.mod -include/cp2k/GNU-13.2.0/mod_files/ai_overlap_aabb.mod -include/cp2k/GNU-13.2.0/mod_files/ai_overlap_debug.mod -include/cp2k/GNU-13.2.0/mod_files/ai_overlap_ppl.mod -include/cp2k/GNU-13.2.0/mod_files/ai_spin_orbit.mod -include/cp2k/GNU-13.2.0/mod_files/ai_verfc.mod -include/cp2k/GNU-13.2.0/mod_files/al_system_dynamics.mod -include/cp2k/GNU-13.2.0/mod_files/al_system_init.mod -include/cp2k/GNU-13.2.0/mod_files/al_system_mapping.mod -include/cp2k/GNU-13.2.0/mod_files/al_system_types.mod -include/cp2k/GNU-13.2.0/mod_files/almo_scf.mod -include/cp2k/GNU-13.2.0/mod_files/almo_scf_diis_types.mod -include/cp2k/GNU-13.2.0/mod_files/almo_scf_env_methods.mod -include/cp2k/GNU-13.2.0/mod_files/almo_scf_lbfgs_types.mod -include/cp2k/GNU-13.2.0/mod_files/almo_scf_methods.mod -include/cp2k/GNU-13.2.0/mod_files/almo_scf_optimizer.mod -include/cp2k/GNU-13.2.0/mod_files/almo_scf_qs.mod -include/cp2k/GNU-13.2.0/mod_files/almo_scf_types.mod -include/cp2k/GNU-13.2.0/mod_files/ao_util.mod -include/cp2k/GNU-13.2.0/mod_files/arnoldi_api.mod -include/cp2k/GNU-13.2.0/mod_files/arnoldi_data_methods.mod -include/cp2k/GNU-13.2.0/mod_files/arnoldi_geev.mod -include/cp2k/GNU-13.2.0/mod_files/arnoldi_methods.mod -include/cp2k/GNU-13.2.0/mod_files/arnoldi_types.mod -include/cp2k/GNU-13.2.0/mod_files/atom.mod -include/cp2k/GNU-13.2.0/mod_files/atom_admm_methods.mod -include/cp2k/GNU-13.2.0/mod_files/atom_basis.mod -include/cp2k/GNU-13.2.0/mod_files/atom_electronic_structure.mod -include/cp2k/GNU-13.2.0/mod_files/atom_energy.mod -include/cp2k/GNU-13.2.0/mod_files/atom_fit.mod -include/cp2k/GNU-13.2.0/mod_files/atom_grb.mod -include/cp2k/GNU-13.2.0/mod_files/atom_kind_orbitals.mod -include/cp2k/GNU-13.2.0/mod_files/atom_operators.mod -include/cp2k/GNU-13.2.0/mod_files/atom_optimization.mod -include/cp2k/GNU-13.2.0/mod_files/atom_output.mod -include/cp2k/GNU-13.2.0/mod_files/atom_pseudo.mod -include/cp2k/GNU-13.2.0/mod_files/atom_set_basis.mod -include/cp2k/GNU-13.2.0/mod_files/atom_sgp.mod 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