diff --git a/science/gemmi/Makefile b/science/gemmi/Makefile
index db62f5f0ecbd..b257a807cf24 100644
--- a/science/gemmi/Makefile
+++ b/science/gemmi/Makefile
@@ -1,27 +1,27 @@
 PORTNAME=	gemmi
 DISTVERSIONPREFIX=	v
-DISTVERSION=	0.6.2
+DISTVERSION=	0.6.3
 CATEGORIES=	science # chemistry
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Macromolecular crystallography library and utilities
 WWW=		https://gemmi.readthedocs.io/en/latest/
 
 LICENSE=	MPL20
 LICENSE_FILE=	${WRKSRC}/LICENSE.txt
 
 USES=		cmake:testing compiler:c++20-lang # tests don't run, see https://github.com/project-gemmi/gemmi/issues/231
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	project-gemmi
 
 CMAKE_ON=		BUILD_SHARED_LIBS
 CMAKE_TESTING_TARGET=	check
 
 OPTIONS_DEFINE=		FORTRAN
 
 FORTRAN_USES=		fortran
 FORTRAN_CMAKE_BOOL=	USE_FORTRAN
 FORTRAN_BROKEN=		project option doesn't do anything, see https://github.com/project-gemmi/gemmi/issues/232
 
 .include <bsd.port.mk>
diff --git a/science/gemmi/distinfo b/science/gemmi/distinfo
index 64807762f6b8..2aa772096904 100644
--- a/science/gemmi/distinfo
+++ b/science/gemmi/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1685300431
-SHA256 (project-gemmi-gemmi-v0.6.2_GH0.tar.gz) = d225548ddf4289d7adb9a0cce725cf4853474b9903399080f4770c77d4c18929
-SIZE (project-gemmi-gemmi-v0.6.2_GH0.tar.gz) = 1733298
+TIMESTAMP = 1694327240
+SHA256 (project-gemmi-gemmi-v0.6.3_GH0.tar.gz) = d7fa5e2a96f2093900a8ceaf835d2761562b5c42403e3f4cc98d32bb94f6a091
+SIZE (project-gemmi-gemmi-v0.6.3_GH0.tar.gz) = 1756098
diff --git a/science/gemmi/pkg-plist b/science/gemmi/pkg-plist
index 27bea19e9241..1e66eed2eccb 100644
--- a/science/gemmi/pkg-plist
+++ b/science/gemmi/pkg-plist
@@ -1,237 +1,239 @@
 bin/gemmi
 include/gemmi/addends.hpp
 include/gemmi/align.hpp
 include/gemmi/assembly.hpp
 include/gemmi/asudata.hpp
 include/gemmi/asumask.hpp
 include/gemmi/atof.hpp
 include/gemmi/atox.hpp
 include/gemmi/bessel.hpp
 include/gemmi/binner.hpp
 include/gemmi/blob.hpp
 include/gemmi/bond_idx.hpp
 include/gemmi/c4322.hpp
 include/gemmi/calculate.hpp
 include/gemmi/ccp4.hpp
 include/gemmi/cellred.hpp
 include/gemmi/chemcomp.hpp
 include/gemmi/chemcomp_xyz.hpp
 include/gemmi/cif.hpp
 include/gemmi/cif2mtz.hpp
 include/gemmi/cifdoc.hpp
 include/gemmi/contact.hpp
 include/gemmi/crd.hpp
+include/gemmi/ddl.hpp
 include/gemmi/dencalc.hpp
 include/gemmi/dirwalk.hpp
+include/gemmi/ecalc.hpp
 include/gemmi/eig3.hpp
 include/gemmi/elem.hpp
 include/gemmi/enumstr.hpp
 include/gemmi/fail.hpp
 include/gemmi/fileutil.hpp
 include/gemmi/floodfill.hpp
 include/gemmi/formfact.hpp
 include/gemmi/fourier.hpp
 include/gemmi/fprime.hpp
 include/gemmi/fstream.hpp
 include/gemmi/grid.hpp
 include/gemmi/gz.hpp
 include/gemmi/input.hpp
 include/gemmi/interop.hpp
 include/gemmi/it92.hpp
 include/gemmi/iterator.hpp
 include/gemmi/json.hpp
 include/gemmi/levmar.hpp
 include/gemmi/linkhunt.hpp
 include/gemmi/math.hpp
 include/gemmi/merge.hpp
 include/gemmi/metadata.hpp
 include/gemmi/mmcif.hpp
 include/gemmi/mmcif_impl.hpp
 include/gemmi/mmdb.hpp
 include/gemmi/mmread.hpp
 include/gemmi/mmread_gz.hpp
 include/gemmi/model.hpp
 include/gemmi/modify.hpp
 include/gemmi/monlib.hpp
 include/gemmi/mtz.hpp
 include/gemmi/mtz2cif.hpp
 include/gemmi/neighbor.hpp
 include/gemmi/neutron92.hpp
 include/gemmi/numb.hpp
 include/gemmi/pdb.hpp
 include/gemmi/pdb_id.hpp
 include/gemmi/pirfasta.hpp
 include/gemmi/polyheur.hpp
 include/gemmi/qcp.hpp
 include/gemmi/read_cif.hpp
 include/gemmi/read_map.hpp
 include/gemmi/recgrid.hpp
 include/gemmi/reciproc.hpp
 include/gemmi/refln.hpp
 include/gemmi/remarks.hpp
 include/gemmi/resinfo.hpp
 include/gemmi/riding_h.hpp
 include/gemmi/scaling.hpp
 include/gemmi/select.hpp
 include/gemmi/seqalign.hpp
 include/gemmi/seqid.hpp
 include/gemmi/sfcalc.hpp
 include/gemmi/small.hpp
 include/gemmi/smcif.hpp
 include/gemmi/solmask.hpp
 include/gemmi/span.hpp
 include/gemmi/sprintf.hpp
 include/gemmi/stats.hpp
 include/gemmi/symmetry.hpp
 include/gemmi/third_party/fast_float.h
 include/gemmi/third_party/pocketfft_hdronly.h
 include/gemmi/third_party/sajson.h
 include/gemmi/third_party/tao/LICENSE
 include/gemmi/third_party/tao/NOTES
 include/gemmi/third_party/tao/pegtl.hpp
 include/gemmi/third_party/tao/pegtl/analysis/analyze_cycles.hpp
 include/gemmi/third_party/tao/pegtl/analysis/counted.hpp
 include/gemmi/third_party/tao/pegtl/analysis/generic.hpp
 include/gemmi/third_party/tao/pegtl/analysis/grammar_info.hpp
 include/gemmi/third_party/tao/pegtl/analysis/insert_guard.hpp
 include/gemmi/third_party/tao/pegtl/analysis/insert_rules.hpp
 include/gemmi/third_party/tao/pegtl/analysis/rule_info.hpp
 include/gemmi/third_party/tao/pegtl/analysis/rule_type.hpp
 include/gemmi/third_party/tao/pegtl/analyze.hpp
 include/gemmi/third_party/tao/pegtl/apply_mode.hpp
 include/gemmi/third_party/tao/pegtl/argv_input.hpp
 include/gemmi/third_party/tao/pegtl/ascii.hpp
 include/gemmi/third_party/tao/pegtl/buffer_input.hpp
 include/gemmi/third_party/tao/pegtl/config.hpp
 include/gemmi/third_party/tao/pegtl/cstream_input.hpp
 include/gemmi/third_party/tao/pegtl/eol.hpp
 include/gemmi/third_party/tao/pegtl/eol_pair.hpp
 include/gemmi/third_party/tao/pegtl/file_input.hpp
 include/gemmi/third_party/tao/pegtl/input_error.hpp
 include/gemmi/third_party/tao/pegtl/internal/action.hpp
 include/gemmi/third_party/tao/pegtl/internal/action_input.hpp
 include/gemmi/third_party/tao/pegtl/internal/alnum.hpp
 include/gemmi/third_party/tao/pegtl/internal/alpha.hpp
 include/gemmi/third_party/tao/pegtl/internal/any.hpp
 include/gemmi/third_party/tao/pegtl/internal/apply.hpp
 include/gemmi/third_party/tao/pegtl/internal/apply0.hpp
 include/gemmi/third_party/tao/pegtl/internal/apply0_single.hpp
 include/gemmi/third_party/tao/pegtl/internal/apply_single.hpp
 include/gemmi/third_party/tao/pegtl/internal/at.hpp
 include/gemmi/third_party/tao/pegtl/internal/bof.hpp
 include/gemmi/third_party/tao/pegtl/internal/bol.hpp
 include/gemmi/third_party/tao/pegtl/internal/bump_help.hpp
 include/gemmi/third_party/tao/pegtl/internal/bump_impl.hpp
 include/gemmi/third_party/tao/pegtl/internal/bytes.hpp
 include/gemmi/third_party/tao/pegtl/internal/control.hpp
 include/gemmi/third_party/tao/pegtl/internal/cr_crlf_eol.hpp
 include/gemmi/third_party/tao/pegtl/internal/cr_eol.hpp
 include/gemmi/third_party/tao/pegtl/internal/crlf_eol.hpp
 include/gemmi/third_party/tao/pegtl/internal/cstream_reader.hpp
 include/gemmi/third_party/tao/pegtl/internal/cstring_reader.hpp
 include/gemmi/third_party/tao/pegtl/internal/demangle.hpp
 include/gemmi/third_party/tao/pegtl/internal/demangle_cxxabi.hpp
 include/gemmi/third_party/tao/pegtl/internal/demangle_nop.hpp
 include/gemmi/third_party/tao/pegtl/internal/demangle_sanitise.hpp
 include/gemmi/third_party/tao/pegtl/internal/disable.hpp
 include/gemmi/third_party/tao/pegtl/internal/discard.hpp
 include/gemmi/third_party/tao/pegtl/internal/dusel_mode.hpp
 include/gemmi/third_party/tao/pegtl/internal/duseltronik.hpp
 include/gemmi/third_party/tao/pegtl/internal/enable.hpp
 include/gemmi/third_party/tao/pegtl/internal/endian.hpp
 include/gemmi/third_party/tao/pegtl/internal/endian_gcc.hpp
 include/gemmi/third_party/tao/pegtl/internal/endian_win.hpp
 include/gemmi/third_party/tao/pegtl/internal/eof.hpp
 include/gemmi/third_party/tao/pegtl/internal/eol.hpp
 include/gemmi/third_party/tao/pegtl/internal/eolf.hpp
 include/gemmi/third_party/tao/pegtl/internal/file_mapper.hpp
 include/gemmi/third_party/tao/pegtl/internal/file_opener.hpp
 include/gemmi/third_party/tao/pegtl/internal/file_reader.hpp
 include/gemmi/third_party/tao/pegtl/internal/has_apply.hpp
 include/gemmi/third_party/tao/pegtl/internal/has_apply0.hpp
 include/gemmi/third_party/tao/pegtl/internal/identifier.hpp
 include/gemmi/third_party/tao/pegtl/internal/if_apply.hpp
 include/gemmi/third_party/tao/pegtl/internal/if_must.hpp
 include/gemmi/third_party/tao/pegtl/internal/if_must_else.hpp
 include/gemmi/third_party/tao/pegtl/internal/if_then_else.hpp
 include/gemmi/third_party/tao/pegtl/internal/input_pair.hpp
 include/gemmi/third_party/tao/pegtl/internal/integer_sequence.hpp
 include/gemmi/third_party/tao/pegtl/internal/istream_reader.hpp
 include/gemmi/third_party/tao/pegtl/internal/istring.hpp
 include/gemmi/third_party/tao/pegtl/internal/iterator.hpp
 include/gemmi/third_party/tao/pegtl/internal/lf_crlf_eol.hpp
 include/gemmi/third_party/tao/pegtl/internal/lf_eol.hpp
 include/gemmi/third_party/tao/pegtl/internal/list.hpp
 include/gemmi/third_party/tao/pegtl/internal/list_must.hpp
 include/gemmi/third_party/tao/pegtl/internal/list_tail.hpp
 include/gemmi/third_party/tao/pegtl/internal/list_tail_pad.hpp
 include/gemmi/third_party/tao/pegtl/internal/marker.hpp
 include/gemmi/third_party/tao/pegtl/internal/minus.hpp
 include/gemmi/third_party/tao/pegtl/internal/must.hpp
 include/gemmi/third_party/tao/pegtl/internal/not_at.hpp
 include/gemmi/third_party/tao/pegtl/internal/one.hpp
 include/gemmi/third_party/tao/pegtl/internal/opt.hpp
 include/gemmi/third_party/tao/pegtl/internal/pad.hpp
 include/gemmi/third_party/tao/pegtl/internal/pad_opt.hpp
 include/gemmi/third_party/tao/pegtl/internal/peek_char.hpp
 include/gemmi/third_party/tao/pegtl/internal/peek_utf16.hpp
 include/gemmi/third_party/tao/pegtl/internal/peek_utf32.hpp
 include/gemmi/third_party/tao/pegtl/internal/peek_utf8.hpp
 include/gemmi/third_party/tao/pegtl/internal/pegtl_string.hpp
 include/gemmi/third_party/tao/pegtl/internal/plus.hpp
 include/gemmi/third_party/tao/pegtl/internal/raise.hpp
 include/gemmi/third_party/tao/pegtl/internal/range.hpp
 include/gemmi/third_party/tao/pegtl/internal/ranges.hpp
 include/gemmi/third_party/tao/pegtl/internal/rep.hpp
 include/gemmi/third_party/tao/pegtl/internal/rep_min.hpp
 include/gemmi/third_party/tao/pegtl/internal/rep_min_max.hpp
 include/gemmi/third_party/tao/pegtl/internal/rep_opt.hpp
 include/gemmi/third_party/tao/pegtl/internal/require.hpp
 include/gemmi/third_party/tao/pegtl/internal/result_on_found.hpp
 include/gemmi/third_party/tao/pegtl/internal/rule_conjunction.hpp
 include/gemmi/third_party/tao/pegtl/internal/rules.hpp
 include/gemmi/third_party/tao/pegtl/internal/seq.hpp
 include/gemmi/third_party/tao/pegtl/internal/skip_control.hpp
 include/gemmi/third_party/tao/pegtl/internal/sor.hpp
 include/gemmi/third_party/tao/pegtl/internal/star.hpp
 include/gemmi/third_party/tao/pegtl/internal/star_must.hpp
 include/gemmi/third_party/tao/pegtl/internal/state.hpp
 include/gemmi/third_party/tao/pegtl/internal/string.hpp
 include/gemmi/third_party/tao/pegtl/internal/trivial.hpp
 include/gemmi/third_party/tao/pegtl/internal/try_catch_type.hpp
 include/gemmi/third_party/tao/pegtl/internal/until.hpp
 include/gemmi/third_party/tao/pegtl/istream_input.hpp
 include/gemmi/third_party/tao/pegtl/memory_input.hpp
 include/gemmi/third_party/tao/pegtl/mmap_input.hpp
 include/gemmi/third_party/tao/pegtl/normal.hpp
 include/gemmi/third_party/tao/pegtl/nothing.hpp
 include/gemmi/third_party/tao/pegtl/parse.hpp
 include/gemmi/third_party/tao/pegtl/parse_error.hpp
 include/gemmi/third_party/tao/pegtl/position.hpp
 include/gemmi/third_party/tao/pegtl/read_input.hpp
 include/gemmi/third_party/tao/pegtl/rewind_mode.hpp
 include/gemmi/third_party/tao/pegtl/rules.hpp
 include/gemmi/third_party/tao/pegtl/string_input.hpp
 include/gemmi/third_party/tao/pegtl/tracking_mode.hpp
 include/gemmi/third_party/tao/pegtl/utf16.hpp
 include/gemmi/third_party/tao/pegtl/utf32.hpp
 include/gemmi/third_party/tao/pegtl/utf8.hpp
 include/gemmi/third_party/tao/pegtl/version.hpp
 include/gemmi/third_party/tinydir.h
 include/gemmi/to_chemcomp.hpp
 include/gemmi/to_cif.hpp
 include/gemmi/to_json.hpp
 include/gemmi/to_mmcif.hpp
 include/gemmi/to_pdb.hpp
 include/gemmi/topo.hpp
 include/gemmi/twin.hpp
 include/gemmi/unitcell.hpp
 include/gemmi/utf.hpp
 include/gemmi/util.hpp
 include/gemmi/version.hpp
 include/gemmi/xds_ascii.hpp
 lib/cmake/gemmi/gemmi-config-version.cmake
 lib/cmake/gemmi/gemmi-config.cmake
 lib/cmake/gemmi/gemmi-targets-%%CMAKE_BUILD_TYPE%%.cmake
 lib/cmake/gemmi/gemmi-targets.cmake
 lib/libgemmi_cpp.so
diff --git a/science/py-gemmi/Makefile b/science/py-gemmi/Makefile
index 9e09144588fb..caea06f40f2e 100644
--- a/science/py-gemmi/Makefile
+++ b/science/py-gemmi/Makefile
@@ -1,38 +1,38 @@
 PORTNAME=	gemmi
 DISTVERSIONPREFIX=	v
-DISTVERSION=	0.6.2
+DISTVERSION=	0.6.3
 CATEGORIES=	science python
 PKGNAMEPREFIX=	${PYTHON_PKGNAMEPREFIX}
 
 MAINTAINER=	yuri@FreeBSD.org
 COMMENT=	Macromolecular crystallography library and utilities
 WWW=		https://gemmi.readthedocs.io/en/latest/
 
 LICENSE=	MPL20
 LICENSE_FILE=	${WRKSRC}/LICENSE.txt
 
 BUILD_DEPENDS=	${PYTHON_PKGNAMEPREFIX}pip>0:devel/py-pip@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}pybind11>0:devel/py-pybind11@${PY_FLAVOR} \
 		${PYTHON_PKGNAMEPREFIX}wheel>0:devel/py-wheel@${PY_FLAVOR} \
 		pybind11>=2.6:devel/pybind11
 LIB_DEPENDS=	libgemmi_cpp.so:science/gemmi
 
 USES=		cmake compiler:c++20-lang localbase:ldflags python
 USE_PYTHON=	flavors
 
 USE_GITHUB=	yes
 GH_ACCOUNT=	project-gemmi
 
 CMAKE_ON=	USE_PYTHON
 CMAKE_OFF=	BUILD_GEMMI_PROGRAM
 CMAKE_ARGS=	-DPython_EXECUTABLE=${PYTHON_CMD}
 
 TEST_ENV=	${MAKE_ENV} PYTHONPATH=${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}
 TEST_WRKSRC=	${BUILD_WRKSRC}/tests
 
 PLIST_SUB=	VER=${PORTVERSION}
 
 do-test:
 	@cd ${WRKSRC} && ${SETENV} ${TEST_ENV} ${PYTHON_CMD} -m unittest discover -v tests/
 
 .include <bsd.port.mk>
diff --git a/science/py-gemmi/distinfo b/science/py-gemmi/distinfo
index f3c4d131e6b0..de2cc003fbcb 100644
--- a/science/py-gemmi/distinfo
+++ b/science/py-gemmi/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1685301047
-SHA256 (project-gemmi-gemmi-v0.6.2_GH0.tar.gz) = d225548ddf4289d7adb9a0cce725cf4853474b9903399080f4770c77d4c18929
-SIZE (project-gemmi-gemmi-v0.6.2_GH0.tar.gz) = 1733298
+TIMESTAMP = 1694328516
+SHA256 (project-gemmi-gemmi-v0.6.3_GH0.tar.gz) = d7fa5e2a96f2093900a8ceaf835d2761562b5c42403e3f4cc98d32bb94f6a091
+SIZE (project-gemmi-gemmi-v0.6.3_GH0.tar.gz) = 1756098
diff --git a/science/py-gemmi/files/patch-CMakeLists.txt b/science/py-gemmi/files/patch-CMakeLists.txt
index 943a0ad5a5cc..802f60ebf944 100644
--- a/science/py-gemmi/files/patch-CMakeLists.txt
+++ b/science/py-gemmi/files/patch-CMakeLists.txt
@@ -1,148 +1,150 @@
---- CMakeLists.txt.orig	2023-05-25 12:37:36 UTC
+--- CMakeLists.txt.orig	2023-09-07 09:12:22 UTC
 +++ CMakeLists.txt
-@@ -187,20 +187,21 @@ if (GEMMI_VERSION_INFO)
+@@ -187,21 +187,22 @@ if (GEMMI_VERSION_INFO)
    target_compile_definitions(options PRIVATE GEMMI_VERSION_INFO=${GEMMI_VERSION_INFO})
  endif()
  
 -add_library(gemmi_cpp
--            src/assembly.cpp src/calculate.cpp src/crd.cpp src/eig3.cpp
+-            src/assembly.cpp src/calculate.cpp src/crd.cpp
+-            src/ddl.cpp src/eig3.cpp
 -            src/mmcif.cpp src/mmread_gz.cpp src/mtz.cpp src/mtz2cif.cpp
 -            src/polyheur.cpp src/read_cif.cpp src/resinfo.cpp
 -            src/riding_h.cpp src/sprintf.cpp src/to_mmcif.cpp
 -            src/to_pdb.cpp src/monlib.cpp src/topo.cpp src/xds_ascii.cpp)
 -set_property(TARGET gemmi_cpp PROPERTY POSITION_INDEPENDENT_CODE ON)
 +#add_library(gemmi_cpp
-+#            src/assembly.cpp src/calculate.cpp src/crd.cpp src/eig3.cpp
++#            src/assembly.cpp src/calculate.cpp src/crd.cpp
++#            src/ddl.cpp src/eig3.cpp
 +#            src/mmcif.cpp src/mmread_gz.cpp src/mtz.cpp src/mtz2cif.cpp
 +#            src/polyheur.cpp src/read_cif.cpp src/resinfo.cpp
 +#            src/riding_h.cpp src/sprintf.cpp src/to_mmcif.cpp
 +#            src/to_pdb.cpp src/monlib.cpp src/topo.cpp src/xds_ascii.cpp)
 +#set_property(TARGET gemmi_cpp PROPERTY POSITION_INDEPENDENT_CODE ON)
  #set_property(TARGET gemmi_cpp PROPERTY CXX_VISIBILITY_PRESET hidden)
 -target_compile_definitions(gemmi_cpp PRIVATE GEMMI_BUILD)
 -if (BUILD_SHARED_LIBS)
 -  target_compile_definitions(gemmi_cpp PUBLIC GEMMI_SHARED)
 -endif()
 -support_gz(gemmi_cpp)
 +#target_compile_definitions(gemmi_cpp PRIVATE GEMMI_BUILD)
 +#if (BUILD_SHARED_LIBS)
 +#  target_compile_definitions(gemmi_cpp PUBLIC GEMMI_SHARED)
 +#endif()
 +#support_gz(gemmi_cpp)
  
 +find_package(gemmi REQUIRED)
  
  # Gemmi subcommands compiled as individual binaries.
  # Not built by default and used mostly for testing.
-@@ -209,7 +210,7 @@ function(add_single_prog target)
+@@ -210,7 +211,7 @@ function(add_single_prog target)
    add_executable(gemmi-${target} EXCLUDE_FROM_ALL prog/${target}.cpp ${arg_ADD_SRC}
                   $<TARGET_OBJECTS:options>)
    if (NOT arg_NOLIB)
 -    target_link_libraries(gemmi-${target} PRIVATE gemmi_cpp)
 +    #target_link_libraries(gemmi-${target} PRIVATE gemmi_cpp)
    endif()
    if (arg_GZ)
      support_gz(gemmi-${target})
-@@ -261,7 +262,7 @@ add_executable(gemmi_prog
+@@ -264,7 +265,7 @@ add_executable(gemmi_prog
                 prog/validate.cpp prog/validate_mon.cpp prog/wcn.cpp
                 prog/xds2mtz.cpp
                 $<TARGET_OBJECTS:options>)
 -target_link_libraries(gemmi_prog PRIVATE gemmi_cpp)
 +#target_link_libraries(gemmi_prog PRIVATE gemmi_cpp)
  support_gz(gemmi_prog)
  target_compile_definitions(gemmi_prog PRIVATE GEMMI_ALL_IN_ONE=1)
  set_property(TARGET gemmi_prog PROPERTY OUTPUT_NAME gemmi)
-@@ -301,10 +302,10 @@ add_executable(doc_example EXCLUDE_FROM_ALL
+@@ -304,10 +305,10 @@ add_executable(doc_example EXCLUDE_FROM_ALL
                 docs/code/cell.cpp src/resinfo.cpp)
  add_executable(doc_example2 EXCLUDE_FROM_ALL docs/code/cif_cc.cpp)
  add_executable(doc_maybegz EXCLUDE_FROM_ALL docs/code/maybegz.cpp docs/code/mutate.cpp)
 -target_link_libraries(doc_maybegz PRIVATE gemmi_cpp)
 +target_link_libraries(doc_maybegz PRIVATE gemmi)
  support_gz(doc_maybegz)
  add_executable(doc_newmtz EXCLUDE_FROM_ALL docs/code/newmtz.cpp)
 -target_link_libraries(doc_newmtz PRIVATE gemmi_cpp)
 +target_link_libraries(doc_newmtz PRIVATE gemmi)
  support_gz(doc_newmtz)
  
  # always compile these tests with assertions enabled
-@@ -313,7 +314,7 @@ if (CMAKE_CXX_COMPILER_ID MATCHES "Clang|GNU|Intel")
+@@ -316,7 +317,7 @@ if (CMAKE_CXX_COMPILER_ID MATCHES "Clang|GNU|Intel")
  endif()
  
  add_executable(test_disulf EXCLUDE_FROM_ALL tests/disulf.cpp)
 -target_link_libraries(test_disulf PRIVATE gemmi_cpp)
 +target_link_libraries(test_disulf PRIVATE gemmi)
  support_gz(test_disulf)
  
  # auth_label requires <experimental/filesystem> and -lstdc++fs
-@@ -324,7 +325,7 @@ endif()
+@@ -327,7 +328,7 @@ endif()
  support_gz(auth_label)
  
  add_executable(check_conn EXCLUDE_FROM_ALL examples/check_conn.cpp)
 -target_link_libraries(check_conn PRIVATE gemmi_cpp)
 +target_link_libraries(check_conn PRIVATE gemmi)
  
  enable_testing()
  
-@@ -361,7 +362,7 @@ if (benchmark_FOUND)
+@@ -364,7 +365,7 @@ if (benchmark_FOUND)
    foreach(b stoi elem mod niggli pdb resinfo round sym)
      add_executable(${b}-bm EXCLUDE_FROM_ALL benchmarks/${b}.cpp)
      if (b MATCHES "resinfo|pdb")
 -      target_link_libraries(${b}-bm PRIVATE gemmi_cpp)
 +      target_link_libraries(${b}-bm PRIVATE gemmi)
      endif()
      target_link_libraries(${b}-bm PRIVATE benchmark::benchmark)
      set_property(TARGET ${b}-bm PROPERTY RUNTIME_OUTPUT_DIRECTORY
-@@ -389,8 +390,8 @@ if (USE_PYTHON)
+@@ -392,8 +393,8 @@ if (USE_PYTHON)
            python/mtz.cpp python/read.cpp python/recgrid.cpp
            python/scaling.cpp python/search.cpp
            python/sf.cpp python/sym.cpp python/topo.cpp
 -          python/unitcell.cpp python/write.cpp
 -          $<TARGET_OBJECTS:gemmi_cpp>)
 +          python/unitcell.cpp python/write.cpp)
 +  target_link_libraries(gemmi_py PRIVATE gemmi::gemmi_cpp)
    set_property(TARGET gemmi_py PROPERTY OUTPUT_NAME gemmi)
    if(CMAKE_CXX_FLAGS MATCHES "-Wshadow")
      target_compile_options(gemmi_py PRIVATE "-Wno-shadow")
-@@ -413,21 +414,21 @@ write_basic_package_version_file(gemmi-config-version.
+@@ -416,21 +417,21 @@ write_basic_package_version_file(gemmi-config-version.
                                   COMPATIBILITY AnyNewerVersion)
  
  # In CMake 3.23 we'll be able to use FILE_SET to install the headers
 -install(DIRECTORY include/gemmi DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}")
 +#install(DIRECTORY include/gemmi DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}")
  
  if (BUILD_GEMMI_PROGRAM)
    install(TARGETS gemmi_prog EXPORT GemmiTargets)
  endif()
 -install(TARGETS gemmi_cpp
 -        EXPORT GemmiTargets
 -        INCLUDES DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}")
 +#install(TARGETS gemmi_cpp
 +#        EXPORT GemmiTargets
 +#        INCLUDES DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}")
  
 -install(EXPORT GemmiTargets FILE gemmi-targets.cmake NAMESPACE gemmi::
 -        DESTINATION "${GEMMI_INSTALL_CMAKEDIR}")
 -install(FILES
 -        "${CMAKE_CURRENT_BINARY_DIR}/gemmi-config.cmake"
 -        "${CMAKE_CURRENT_BINARY_DIR}/gemmi-config-version.cmake"
 -        DESTINATION "${GEMMI_INSTALL_CMAKEDIR}")
 +#install(EXPORT GemmiTargets FILE gemmi-targets.cmake NAMESPACE gemmi::
 +#        DESTINATION "${GEMMI_INSTALL_CMAKEDIR}")
 +#install(FILES
 +#        "${CMAKE_CURRENT_BINARY_DIR}/gemmi-config.cmake"
 +#        "${CMAKE_CURRENT_BINARY_DIR}/gemmi-config-version.cmake"
 +#        DESTINATION "${GEMMI_INSTALL_CMAKEDIR}")
  
  if (USE_PYTHON)
    if (DEFINED PYTHON_INSTALL_DIR)
-@@ -441,8 +442,8 @@ if (USE_PYTHON)
+@@ -444,8 +445,8 @@ if (USE_PYTHON)
    # and don't respect CMAKE_INSTALL_PREFIX.
    # https://discourse.cmake.org/t/findpython3-how-to-specify-local-installation-directory-for-python-module/3580/5
    install(TARGETS gemmi_py DESTINATION "${Python_SITEARCH}")
 -  install(DIRECTORY examples/ DESTINATION "${Python_SITELIB}/gemmi-examples"
 -          FILES_MATCHING PATTERN "*.py")
 +  #install(DIRECTORY examples/ DESTINATION "${Python_SITELIB}/gemmi-examples"
 +  #        FILES_MATCHING PATTERN "*.py")
    if (INSTALL_EGG_INFO)
      install(CODE
       "execute_process(COMMAND \"${Python_EXECUTABLE}\" setup.py install_egg_info --install-dir \"\$ENV{DESTDIR}${Python_SITELIB}\"