Date: Tue, 02 Jun 2026 15:58:01 +0000 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: db7005e090b1 - main - science/psi4: update 1.10=?utf-8?Q? =E2=86=92 1.1?=0.1 Message-ID: <6a1efd89.402d1.2d7cbbf9@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=db7005e090b17f87ea1252869475e5ae0a01d613 commit db7005e090b17f87ea1252869475e5ae0a01d613 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2026-06-02 15:30:38 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2026-06-02 15:57:57 +0000 science/psi4: update 1.10 → 1.10.1 --- science/psi4/Makefile | 11 ++++++----- science/psi4/distinfo | 6 +++--- science/psi4/files/patch-CMakeLists.txt | 17 +++++++++++++++-- 3 files changed, 24 insertions(+), 10 deletions(-) diff --git a/science/psi4/Makefile b/science/psi4/Makefile index 10ccbd8023fc..16ae863c6ea6 100644 --- a/science/psi4/Makefile +++ b/science/psi4/Makefile @@ -1,6 +1,6 @@ PORTNAME= psi4 DISTVERSIONPREFIX= v -DISTVERSION= 1.10 +DISTVERSION= 1.10.1 CATEGORIES= science # quantum-chemistry EXTRACT_ONLY= ${DISTNAME}${EXTRACT_SUFX} @@ -34,7 +34,8 @@ USE_GITHUB= yes CMAKE_ARGS= -DLibxc_DIR=${LOCALBASE} \ -DFREEBSD_PYTHON_VER=${PYTHON_VER} \ -DPython_EXECUTABLE=${PYTHON_CMD} \ - -DPYMOD_INSTALL_LIBDIR=${PYTHONPREFIX_SITELIBDIR:S|${PREFIX}/lib||} + -DPYMOD_INSTALL_LIBDIR=${PYTHONPREFIX_SITELIBDIR:S|${PREFIX}/lib||} \ + -DCMAKE_INSIST_FIND_PACKAGE_Libint2=ON CONFIGURE_ENV= FREEBSD_PYTHON_VER=${PYTHON_VER} LDFLAGS+= -lexecinfo # for backtrace_symbols @@ -54,7 +55,7 @@ NATIVE_CMAKE_BOOL= ENABLE_XHOST post-patch: # correct the default data dir @${REINPLACE_CMD} \ - -E 's|%%DATADIR%%|${DATADIR}|' \ + -e 's|/usr/local/share/psi4|${DATADIR}|' \ ${WRKSRC}/psi4/run_psi4.py do-install: # project fails to install itself into a stage directory due to a convoluted cmake code structure (DESTDIR isn't handled correctly) @@ -77,8 +78,8 @@ do-install: # project fails to install itself into a stage directory due to a co # psi4 sometimes fails to print its version: https://github.com/psi4/psi4/issues/2831 do-test: - # 2 tests fail, see https://github.com/psi4/psi4/issues/3014 - # 1.9: many tests fail: https://github.com/psi4/psi4/issues/3099 @cd ${TEST_WRKSRC} && ${SETENV} ${TEST_ENV} pytest # tests can run without this target too, but this way tests output is more concise and it looks more appealing +# tests as of 1.10.1: 27 failed, 6072 passed, 1380 skipped, 51 xfailed in 6365.46s (1:46:05), see https://github.com/psi4/psi4/issues/3421 + .include <bsd.port.mk> diff --git a/science/psi4/distinfo b/science/psi4/distinfo index 2827c623bf8d..47687b324a4b 100644 --- a/science/psi4/distinfo +++ b/science/psi4/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1776702252 -SHA256 (psi4-psi4-v1.10_GH0.tar.gz) = 2d0ffcec6ff61141fbf13e8ee7ba984e28fc268659f67833352303a6356cc4e4 -SIZE (psi4-psi4-v1.10_GH0.tar.gz) = 51088510 +TIMESTAMP = 1780201783 +SHA256 (psi4-psi4-v1.10.1_GH0.tar.gz) = 9931c9189473cf32764b481964195b492ba488efa680f5e549ecb957a1d5bc54 +SIZE (psi4-psi4-v1.10.1_GH0.tar.gz) = 51081993 diff --git a/science/psi4/files/patch-CMakeLists.txt b/science/psi4/files/patch-CMakeLists.txt index bf2dc9b63c96..133fa7af43a3 100644 --- a/science/psi4/files/patch-CMakeLists.txt +++ b/science/psi4/files/patch-CMakeLists.txt @@ -1,4 +1,4 @@ ---- CMakeLists.txt.orig 2026-04-20 17:47:33 UTC +--- CMakeLists.txt.orig 2026-05-29 03:12:24 UTC +++ CMakeLists.txt @@ -221,7 +221,7 @@ set(Python_ADDITIONAL_VERSIONS 3.13 3.12 3.11 3.10) # # * library: not at all @@ -17,7 +17,7 @@ CMAKE_CACHE_ARGS -DCMAKE_PREFIX_PATH:PATH=${_cmake_CMAKE_PREFIX_PATH} -DCMAKE_C_COMPILER_ARG1:STRING=${CMAKE_C_COMPILER_ARG1} -DCMAKE_CXX_COMPILER_ARG1:STRING=${CMAKE_CXX_COMPILER_ARG1} -@@ -356,8 +357,8 @@ ExternalProject_Add(psi4-core +@@ -356,21 +357,10 @@ ExternalProject_Add(psi4-core # CMAKE_<lang>_COMPILER_ARG1 vars pass args thru when CMAKE_<lang>_COMPILER set as "compiler --vital-args" -DOpenMP_C_LIB_NAMES:STRING=${OpenMP_C_LIB_NAMES} -DOpenMP_CXX_LIB_NAMES:STRING=${OpenMP_CXX_LIB_NAMES} @@ -28,3 +28,16 @@ add_subdirectory(external/downstream) add_subdirectory(doc) + include(ConfigTesting) + +-# <<< Install >>> +- +-install(DIRECTORY ${STAGED_INSTALL_PREFIX}/ +- DESTINATION ${CMAKE_INSTALL_PREFIX} +- USE_SOURCE_PERMISSIONS +- PATTERN "*.pyc" EXCLUDE) +- +-install(DIRECTORY samples +- DESTINATION ${CMAKE_INSTALL_PREFIX}/${CMAKE_INSTALL_DATADIR}/psi4 +- USE_SOURCE_PERMISSIONS +- PATTERN "example_psi4rc_file" EXCLUDE)home | help
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