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authorYuri Victorovich <yuri@FreeBSD.org>2024-09-04 07:49:15 +0000
committerYuri Victorovich <yuri@FreeBSD.org>2024-09-04 08:08:17 +0000
commitc9760b11193d51b948f97d4664621a4c6c610cee (patch)
tree265044e2c7565effec5c99e26dcda78e5f016694
parentee2417db5cca61029805c0cda73a1485ffc85c65 (diff)
downloadports-c9760b11193d51b948f97d4664621a4c6c610cee.tar.gz
ports-c9760b11193d51b948f97d4664621a4c6c610cee.zip
science/cp2k: Remove gcc version from include paths
PR: 281244 Reported by: Lorenzo Salvadore <salvadore@freebsd.org>
-rw-r--r--science/cp2k/Makefile1
-rw-r--r--science/cp2k/files/patch-Makefile71
-rw-r--r--science/cp2k/files/patch-cmake_CompilerConfiguration.cmake11
-rw-r--r--science/cp2k/files/patch-cmake_libcp2k.pc.in9
-rw-r--r--science/cp2k/files/patch-exts_Makefile.inc29
-rw-r--r--science/cp2k/files/patch-exts_build__dbcsr_Makefile11
-rw-r--r--science/cp2k/files/patch-src_CMakeLists.txt11
-rw-r--r--science/cp2k/pkg-plist2454
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
-include/cp2k/GNU-13.2.0/mod_files/atom_types.mod
-include/cp2k/GNU-13.2.0/mod_files/atom_upf.mod
-include/cp2k/GNU-13.2.0/mod_files/atom_utils.mod
-include/cp2k/GNU-13.2.0/mod_files/atom_xc.mod
-include/cp2k/GNU-13.2.0/mod_files/atomic_charges.mod
-include/cp2k/GNU-13.2.0/mod_files/atomic_kind_list_types.mod
-include/cp2k/GNU-13.2.0/mod_files/atomic_kind_types.mod
-include/cp2k/GNU-13.2.0/mod_files/atoms_input.mod
-include/cp2k/GNU-13.2.0/mod_files/atprop_types.mod
-include/cp2k/GNU-13.2.0/mod_files/auto_basis.mod
-include/cp2k/GNU-13.2.0/mod_files/aux_basis_set.mod
-include/cp2k/GNU-13.2.0/mod_files/averages_types.mod
-include/cp2k/GNU-13.2.0/mod_files/barostat_types.mod
-include/cp2k/GNU-13.2.0/mod_files/barostat_utils.mod
-include/cp2k/GNU-13.2.0/mod_files/base_hooks.mod
-include/cp2k/GNU-13.2.0/mod_files/basis_set_container_types.mod
-include/cp2k/GNU-13.2.0/mod_files/basis_set_output.mod
-include/cp2k/GNU-13.2.0/mod_files/basis_set_types.mod
-include/cp2k/GNU-13.2.0/mod_files/bessel_lib.mod
-include/cp2k/GNU-13.2.0/mod_files/beta_gamma_psi.mod
-include/cp2k/GNU-13.2.0/mod_files/bfgs_optimizer.mod
-include/cp2k/GNU-13.2.0/mod_files/bibliography.mod
-include/cp2k/GNU-13.2.0/mod_files/block_p_types.mod
-include/cp2k/GNU-13.2.0/mod_files/bse_full_diag.mod
-include/cp2k/GNU-13.2.0/mod_files/bse_iterative.mod
-include/cp2k/GNU-13.2.0/mod_files/bse_main.mod
-include/cp2k/GNU-13.2.0/mod_files/bse_util.mod
-include/cp2k/GNU-13.2.0/mod_files/bsse.mod
-include/cp2k/GNU-13.2.0/mod_files/callgraph.mod
-include/cp2k/GNU-13.2.0/mod_files/cell_methods.mod
-include/cp2k/GNU-13.2.0/mod_files/cell_opt.mod
-include/cp2k/GNU-13.2.0/mod_files/cell_opt_types.mod
-include/cp2k/GNU-13.2.0/mod_files/cell_opt_utils.mod
-include/cp2k/GNU-13.2.0/mod_files/cell_types.mod
-include/cp2k/GNU-13.2.0/mod_files/cg_optimizer.mod
-include/cp2k/GNU-13.2.0/mod_files/cg_test.mod
-include/cp2k/GNU-13.2.0/mod_files/cg_utils.mod
-include/cp2k/GNU-13.2.0/mod_files/colvar_methods.mod
-include/cp2k/GNU-13.2.0/mod_files/colvar_types.mod
-include/cp2k/GNU-13.2.0/mod_files/colvar_utils.mod
-include/cp2k/GNU-13.2.0/mod_files/commutator_rkinetic.mod
-include/cp2k/GNU-13.2.0/mod_files/commutator_rpnl.mod
-include/cp2k/GNU-13.2.0/mod_files/constants_operator.mod
-include/cp2k/GNU-13.2.0/mod_files/constraint.mod
-include/cp2k/GNU-13.2.0/mod_files/constraint_3x3.mod
-include/cp2k/GNU-13.2.0/mod_files/constraint_4x6.mod
-include/cp2k/GNU-13.2.0/mod_files/constraint_clv.mod
-include/cp2k/GNU-13.2.0/mod_files/constraint_fxd.mod
-include/cp2k/GNU-13.2.0/mod_files/constraint_util.mod
-include/cp2k/GNU-13.2.0/mod_files/constraint_vsite.mod
-include/cp2k/GNU-13.2.0/mod_files/construct_shg.mod
-include/cp2k/GNU-13.2.0/mod_files/core_ae.mod
-include/cp2k/GNU-13.2.0/mod_files/core_ppl.mod
-include/cp2k/GNU-13.2.0/mod_files/core_ppnl.mod
-include/cp2k/GNU-13.2.0/mod_files/cp2k_debug.mod
-include/cp2k/GNU-13.2.0/mod_files/cp2k_info.mod
-include/cp2k/GNU-13.2.0/mod_files/cp2k_runs.mod
-include/cp2k/GNU-13.2.0/mod_files/cp2k_shell.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_array_sort.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_array_utils.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_blacs_env.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_blacs_types.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_cfm_basic_linalg.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_cfm_diag.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_cfm_types.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_control_types.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_control_utils.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_dbcsr_api.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_dbcsr_cholesky.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_dbcsr_cp2k_link.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_dbcsr_diag.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_dbcsr_operations.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_dbcsr_output.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_ddapc.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_ddapc_forces.mod
-include/cp2k/GNU-13.2.0/mod_files/cp_ddapc_methods.mod
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+include/cp2k/mod_files/xtb_ehess.mod
+include/cp2k/mod_files/xtb_ehess_force.mod
+include/cp2k/mod_files/xtb_matrices.mod
+include/cp2k/mod_files/xtb_parameters.mod
+include/cp2k/mod_files/xtb_types.mod
include/cp2k/libcp2k.h
lib/cmake/cp2k/cp2kConfig.cmake
lib/cmake/cp2k/cp2kConfigVersion.cmake