git: 773d13870c68 - main - science/{,py-}spglib: update 2.0.2 → 2.1.0
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Date: Mon, 11 Sep 2023 06:51:47 UTC
The branch main has been updated by yuri:
URL: https://cgit.FreeBSD.org/ports/commit/?id=773d13870c68007ee3b01e6b40bfdaadad32bac1
commit 773d13870c68007ee3b01e6b40bfdaadad32bac1
Author: Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2023-09-11 06:50:09 +0000
Commit: Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2023-09-11 06:51:41 +0000
science/{,py-}spglib: update 2.0.2 → 2.1.0
Reported by: portscout
---
science/avogadrolibs/Makefile | 2 +-
science/octopus/Makefile | 2 +-
science/py-spglib/Makefile | 15 +++++----
science/py-spglib/distinfo | 6 ++--
science/py-spglib/files/patch-CMakeLists.txt | 39 +++++++++++++++++++++++
science/py-spglib/pkg-plist | 3 ++
science/sirius/Makefile | 1 +
science/spglib/Makefile | 19 ++++-------
science/spglib/distinfo | 6 ++--
science/spglib/files/patch-fortran_CMakeLists.txt | 13 ++++++++
science/spglib/pkg-plist | 22 +++++++------
11 files changed, 93 insertions(+), 35 deletions(-)
diff --git a/science/avogadrolibs/Makefile b/science/avogadrolibs/Makefile
index 80d49b2cea1b..c4a14c195afb 100644
--- a/science/avogadrolibs/Makefile
+++ b/science/avogadrolibs/Makefile
@@ -1,6 +1,6 @@
PORTNAME= avogadrolibs
DISTVERSION= 1.97.0
-PORTREVISION= 2
+PORTREVISION= 3
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
diff --git a/science/octopus/Makefile b/science/octopus/Makefile
index 2db6784a4d57..1440b846b8b8 100644
--- a/science/octopus/Makefile
+++ b/science/octopus/Makefile
@@ -1,6 +1,6 @@
PORTNAME= octopus
DISTVERSION= 11.4
-PORTREVISION= 4
+PORTREVISION= 5
CATEGORIES= science # chemistry
MASTER_SITES= https://octopus-code.org/download/${DISTVERSION}/
diff --git a/science/py-spglib/Makefile b/science/py-spglib/Makefile
index 00be8b2ed1ba..3a1a7b4d8bc3 100644
--- a/science/py-spglib/Makefile
+++ b/science/py-spglib/Makefile
@@ -1,7 +1,6 @@
PORTNAME= spglib
DISTVERSIONPREFIX= v
-DISTVERSION= 2.0.2
-PORTREVISION= 1
+DISTVERSION= 2.1.0
CATEGORIES= science python
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
@@ -12,15 +11,19 @@ WWW= https://atztogo.github.io/spglib/
LICENSE= BSD3CLAUSE
BUILD_DEPENDS= ${PYNUMPY}
+LIB_DEPENDS= libsymspg.so:science/spglib
RUN_DEPENDS= ${PYNUMPY}
-USES= python
-USE_PYTHON= distutils autoplist pytest # tests fail to run, see https://github.com/spglib/spglib/issues/192
+USES= cmake python
+USE_PYTHON= flavors pytest # tests fail to run, see https://github.com/spglib/spglib/issues/192
USE_GITHUB= yes
+CMAKE_ARGS= -DPython3_EXECUTABLE=${PYTHON_CMD}
+
WRKSRC_SUBDIR= python
-post-install:
- @${STRIP_CMD} ${STAGEDIR}${PYTHONPREFIX_SITELIBDIR}/spglib/_spglib*.so
+post-patch:
+ #@cd ${WRKSRC} && ${RLN} ../test .
+ @cd ${WRKSRC} && ${CP} -r ../test .
.include <bsd.port.mk>
diff --git a/science/py-spglib/distinfo b/science/py-spglib/distinfo
index 4b1eec8259f9..3f4784db3f19 100644
--- a/science/py-spglib/distinfo
+++ b/science/py-spglib/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1674925944
-SHA256 (spglib-spglib-v2.0.2_GH0.tar.gz) = 10e44a35099a0a5d0fc6ee0cdb39d472c23cb98b1f5167c0e2b08f6069f3db1e
-SIZE (spglib-spglib-v2.0.2_GH0.tar.gz) = 2880537
+TIMESTAMP = 1694412381
+SHA256 (spglib-spglib-v2.1.0_GH0.tar.gz) = 31bca273a1bc54e1cff4058eebe7c0a35d5f9b489579e84667d8e005c73dcc13
+SIZE (spglib-spglib-v2.1.0_GH0.tar.gz) = 2901649
diff --git a/science/py-spglib/files/patch-CMakeLists.txt b/science/py-spglib/files/patch-CMakeLists.txt
new file mode 100644
index 000000000000..ffabaf7a1e8c
--- /dev/null
+++ b/science/py-spglib/files/patch-CMakeLists.txt
@@ -0,0 +1,39 @@
+--- CMakeLists.txt.orig 2023-09-10 07:23:28 UTC
++++ CMakeLists.txt
+@@ -1,8 +1,13 @@
++cmake_minimum_required(VERSION 3.15)
++
++find_package(Spglib REQUIRED)
++find_package(Python3 COMPONENTS REQUIRED Interpreter Development.Module NumPy)
++
+ Python3_add_library(Spglib_python MODULE WITH_SOABI _spglib.c)
+ set_target_properties(Spglib_python PROPERTIES
+ OUTPUT_NAME _spglib)
+ target_link_libraries(Spglib_python PRIVATE
+- Spglib_symspg Python3::NumPy)
++ Spglib::symspg Python3::NumPy)
+ if (NOT Python_INSTALL_DIR)
+ if (SKBUILD)
+ # If built with scikit-build-core, let it handle the installation
+@@ -12,7 +17,7 @@ if (NOT Python_INSTALL_DIR)
+ set(Python_INSTALL_DIR ${Python3_SITEARCH}/spglib)
+ endif ()
+ endif ()
+-if (SPGLIB_INSTALL)
++if (TRUE)
+ if (WIN32)
+ # Windows needs RUNTIME as well to install the .dll file to
+ install(TARGETS Spglib_symspg
+@@ -22,9 +27,9 @@ if (SPGLIB_INSTALL)
+ else ()
+ # TODO: Cmake forces to install PUBLIC_HEADER when defined
+ # https://gitlab.kitware.com/cmake/cmake/-/issues/24326
+- install(TARGETS Spglib_symspg
+- LIBRARY DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Runtime
+- PUBLIC_HEADER DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Runtime)
++ #install(TARGETS Spglib_symspg
++ # LIBRARY DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Runtime
++ # PUBLIC_HEADER DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Runtime)
+ endif ()
+ install(TARGETS Spglib_python
+ LIBRARY DESTINATION ${Python_INSTALL_DIR} COMPONENT Spglib_Runtime)
diff --git a/science/py-spglib/pkg-plist b/science/py-spglib/pkg-plist
new file mode 100644
index 000000000000..55a2e8a2dc92
--- /dev/null
+++ b/science/py-spglib/pkg-plist
@@ -0,0 +1,3 @@
+%%PYTHON_SITELIBDIR%%/spglib/__init__.py
+%%PYTHON_SITELIBDIR%%/spglib/_spglib%%PYTHON_EXT_SUFFIX%%.so
+%%PYTHON_SITELIBDIR%%/spglib/spglib.py
diff --git a/science/sirius/Makefile b/science/sirius/Makefile
index 87a6b3de5ccf..2dead0619269 100644
--- a/science/sirius/Makefile
+++ b/science/sirius/Makefile
@@ -1,6 +1,7 @@
PORTNAME= sirius
DISTVERSIONPREFIX= v
DISTVERSION= 7.4.3
+PORTREVISION= 1
CATEGORIES= science
PKGNAMESUFFIX= -quantum-chemistry # other software also has the name "sirius"
diff --git a/science/spglib/Makefile b/science/spglib/Makefile
index 0f3dcdf481fb..2196e898c783 100644
--- a/science/spglib/Makefile
+++ b/science/spglib/Makefile
@@ -1,7 +1,6 @@
PORTNAME= spglib
DISTVERSIONPREFIX= v
-DISTVERSION= 2.0.2
-PORTREVISION= 1
+DISTVERSION= 2.1.0
CATEGORIES= science
MAINTAINER= yuri@FreeBSD.org
@@ -11,12 +10,15 @@ WWW= https://spglib.github.io/spglib/
LICENSE= BSD3CLAUSE
LICENSE_FILE= ${WRKSRC}/COPYING
-USES= cmake
+USES= cmake:testing
USE_GITHUB= yes
USE_LDCONFIG= yes
+CMAKE_OFF= SPGLIB_WITH_TESTS
+CMAKE_TESTING_ON= SPGLIB_WITH_TESTS
+
.if !exists(/usr/include/omp.h)
-CMAKE_OFF+= USE_OMP
+CMAKE_OFF+= SPGLIB_USE_OMP
.else
FORTRAN_LDFLAGS= -lomp # workaround for: undefined reference to `__kmpc_fork_call'
.endif
@@ -26,13 +28,6 @@ OPTIONS_DEFAULT= FORTRAN
OPTIONS_SUB= yes
FORTRAN_USES= fortran
-FORTRAN_CMAKE_BOOL= WITH_Fortran
-
-do-test: # from test/README.md
- cd ${WRKSRC}/test && \
- ${CMAKE_BIN} -S . -B build -DUSE_SANITIZER="Address" -DCMAKE_BUILD_TYPE="Debug" && \
- ${CMAKE_BIN} --build build -j ${_MAKE_JOBS} && \
- cd build && \
- ctest
+FORTRAN_CMAKE_BOOL= SPGLIB_WITH_Fortran
.include <bsd.port.mk>
diff --git a/science/spglib/distinfo b/science/spglib/distinfo
index ae6151d27fc1..0fba2daad36c 100644
--- a/science/spglib/distinfo
+++ b/science/spglib/distinfo
@@ -1,3 +1,3 @@
-TIMESTAMP = 1674925518
-SHA256 (spglib-spglib-v2.0.2_GH0.tar.gz) = 10e44a35099a0a5d0fc6ee0cdb39d472c23cb98b1f5167c0e2b08f6069f3db1e
-SIZE (spglib-spglib-v2.0.2_GH0.tar.gz) = 2880537
+TIMESTAMP = 1694406506
+SHA256 (spglib-spglib-v2.1.0_GH0.tar.gz) = 31bca273a1bc54e1cff4058eebe7c0a35d5f9b489579e84667d8e005c73dcc13
+SIZE (spglib-spglib-v2.1.0_GH0.tar.gz) = 2901649
diff --git a/science/spglib/files/patch-fortran_CMakeLists.txt b/science/spglib/files/patch-fortran_CMakeLists.txt
new file mode 100644
index 000000000000..5cbec0d72be8
--- /dev/null
+++ b/science/spglib/files/patch-fortran_CMakeLists.txt
@@ -0,0 +1,13 @@
+- remove compiler ID from include path
+
+--- fortran/CMakeLists.txt.orig 2023-09-11 04:42:53 UTC
++++ fortran/CMakeLists.txt
+@@ -22,7 +22,7 @@ if (SPGLIB_INSTALL)
+ # Adapting the standard from fortran-stdlib
+ # https://gitlab.kitware.com/cmake/cmake/-/issues/19608
+ # https://discourse.cmake.org/t/api-design-c-modules-source-listings-and-interface-properties/5389/14
+- cmake_path(APPEND CMAKE_INSTALL_INCLUDEDIR ${PROJECT_NAME} "${CMAKE_Fortran_COMPILER_ID}-${CMAKE_Fortran_COMPILER_VERSION}"
++ cmake_path(APPEND CMAKE_INSTALL_INCLUDEDIR
+ OUTPUT_VARIABLE _DEFAULT_CMAKE_INSTALL_MODULEDIR)
+ set(CMAKE_INSTALL_MODULEDIR ${_DEFAULT_CMAKE_INSTALL_MODULEDIR}
+ CACHE STRING
diff --git a/science/spglib/pkg-plist b/science/spglib/pkg-plist
index 241ebc0b5c93..065a9b090382 100644
--- a/science/spglib/pkg-plist
+++ b/science/spglib/pkg-plist
@@ -1,14 +1,18 @@
-%%FORTRAN%%bin/spglib_example_fortran.X
include/spglib.h
-include/spglib_f08.f90
-%%FORTRAN%%lib/libspglib_f08.a
+%%FORTRAN%%include/spglib_f08.F90
+%%FORTRAN%%include/spglib_f08.mod
+lib/cmake/Spglib/PackageCompsHelper.cmake
+lib/cmake/Spglib/SpglibConfig.cmake
+lib/cmake/Spglib/SpglibConfigVersion.cmake
+%%FORTRAN%%lib/cmake/Spglib/SpglibTargets_fortran-%%CMAKE_BUILD_TYPE%%.cmake
+%%FORTRAN%%lib/cmake/Spglib/SpglibTargets_fortran.cmake
+lib/cmake/Spglib/SpglibTargets_shared-%%CMAKE_BUILD_TYPE%%.cmake
+lib/cmake/Spglib/SpglibTargets_shared.cmake
%%FORTRAN%%lib/libspglib_f08.so
-%%FORTRAN%%lib/libspglib_f08.so.1
-%%FORTRAN%%lib/libspglib_f08.so.2.0.2
-lib/libsymspg.a
+%%FORTRAN%%lib/libspglib_f08.so.2
+%%FORTRAN%%lib/libspglib_f08.so.2.1.0
lib/libsymspg.so
-lib/libsymspg.so.1
-lib/libsymspg.so.2.0.2
-%%FORTRAN%%lib/spglib_f08.mod
+lib/libsymspg.so.2
+lib/libsymspg.so.2.1.0
libdata/pkgconfig/spglib.pc
%%FORTRAN%%libdata/pkgconfig/spglib_f08.pc