From nobody Sat Oct 08 02:36:47 2022 X-Original-To: dev-commits-ports-main@mlmmj.nyi.freebsd.org Received: from mx1.freebsd.org (mx1.freebsd.org [IPv6:2610:1c1:1:606c::19:1]) by mlmmj.nyi.freebsd.org (Postfix) with ESMTP id 4Mkq7g5M8Fz4fSNM; Sat, 8 Oct 2022 02:36:47 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from mxrelay.nyi.freebsd.org (mxrelay.nyi.freebsd.org [IPv6:2610:1c1:1:606c::19:3]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256 client-signature RSA-PSS (4096 bits) client-digest SHA256) (Client CN "mxrelay.nyi.freebsd.org", Issuer "R3" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 4Mkq7g4xGcz40gr; Sat, 8 Oct 2022 02:36:47 +0000 (UTC) (envelope-from git@FreeBSD.org) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1665196607; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding; bh=G21+pOP1Ns/gg1De4Pb6c174ZRG8JmxwG46FBi1RBXg=; b=osnmugfTgKwVrsObDH8K6pMBQBjKTxvk/DClmqGl03e7+nduozp4+I2b2JJhBDoEIacs9G 2NhaGni0JhlZlPXe1GdbCLcW3TMHB031OPGy5o7niffJkjPelgy/bogJ1TrckZYzu/fSi8 de4DzxesN9PIGPobkbThvZSlVkhuGe6ZiTIrR9FYBXszP4AVKQMvcWewg3ag1G0p5lcZbI 41lcerXH6Q9WoeaMMuRhHs4QSHhkQy5nP8IF9hNHdDZ0DXibEqDXb0uowG46gJw7dMo93z mmuOodPC/SZSyzcxCmaGBb0xIrFjxcwfspTS69lsvb9Lr2ntPXY+7qu+lRLC4Q== Received: from gitrepo.freebsd.org (gitrepo.freebsd.org [IPv6:2610:1c1:1:6068::e6a:5]) (using TLSv1.3 with cipher TLS_AES_256_GCM_SHA384 (256/256 bits) key-exchange X25519 server-signature RSA-PSS (4096 bits) server-digest SHA256) (Client did not present a certificate) by mxrelay.nyi.freebsd.org (Postfix) with ESMTPS id 4Mkq7g40D4zp1h; Sat, 8 Oct 2022 02:36:47 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org ([127.0.1.44]) by gitrepo.freebsd.org (8.16.1/8.16.1) with ESMTP id 2982altI082469; Sat, 8 Oct 2022 02:36:47 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 2982alIn082468; Sat, 8 Oct 2022 02:36:47 GMT (envelope-from git) Date: Sat, 8 Oct 2022 02:36:47 GMT Message-Id: <202210080236.2982alIn082468@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: 1390f547a089 - main - science/spglib: Update 1.16.5 -> 2.0.1 List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-main@freebsd.org X-BeenThere: dev-commits-ports-main@freebsd.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: 1390f547a0895eb70d2fb760602b696b8bd4ec21 Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1665196607; h=from:from:reply-to:subject:subject:date:date:message-id:message-id: to:to:cc:mime-version:mime-version:content-type:content-type: content-transfer-encoding:content-transfer-encoding; bh=G21+pOP1Ns/gg1De4Pb6c174ZRG8JmxwG46FBi1RBXg=; b=glHMZ0+/Ra6cxCd81RCRSBjS+8vlxeKNc7heJ+IitgUqNqbtAkWURwq6+9brsF/UlqvB6m vck0DpdmOhNxnKi6N0BBT6e+Y33CZFS72NgIQ4Mm+G/tZ1YvJ1mFUeSNvhi0wZfdguW+PQ EA3yjyFi3cmQHtHg7ff1IUXjpw70lIwx4F8sn2lgZn7h1N783vBp+1ZH95CYXH/sqNaWzX ORCpvUbyVWBHlFOxl/OUB0prfGdleaRAxa+PUk2TXElqDx9g5yfDSqZbF8krEDvU/ReNVl 5qL2+vX6ZEn9k7Fx8JcR8YriP/R/C1QB96ozsOq8fY9JbrBX9Dm1YFTYEzFO8A== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1665196607; a=rsa-sha256; cv=none; b=jjmBw8wY6ISjdMgjyF32rqDzZVAXLr8F1dkz4v4VQL2tit4+b2M5rXWauVfWDNwKPvtTk6 +YHFRabpFEHYzH/ZpkvRnHXPFSgSeRe6xar6+Xlr/+5RzdzjtGpVw67xR4suutN7nzCsiz u5An7J/OrcvlMyPB6ZbprPEL4zpcbZOQgLmN41f+cA96nTDgCZPqUz8q/azKCZSXXCfytz LZVjZV+mDKmhmg9GtHNrONqgi+Vkze8Ky0bC8KRsYAijpy+b+T2eOWpPnMKkmhgS7zYpRm 1R77HCIC/j8i3mC2QikKIPCtcuLHb8+Vb8vHk9BHgOhglC2Vhz+UA7ekiKjWVg== ARC-Authentication-Results: i=1; mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=1390f547a0895eb70d2fb760602b696b8bd4ec21 commit 1390f547a0895eb70d2fb760602b696b8bd4ec21 Author: Yuri Victorovich AuthorDate: 2022-10-08 02:35:01 +0000 Commit: Yuri Victorovich CommitDate: 2022-10-08 02:36:41 +0000 science/spglib: Update 1.16.5 -> 2.0.1 --- science/avogadrolibs/Makefile | 2 +- science/octopus/Makefile | 1 + science/py-spglib/Makefile | 4 ++-- science/py-spglib/distinfo | 6 +++--- science/sirius/Makefile | 2 +- science/spglib/Makefile | 19 +++++++++++++++++-- science/spglib/distinfo | 6 +++--- science/spglib/pkg-plist | 9 ++++++++- 8 files changed, 36 insertions(+), 13 deletions(-) diff --git a/science/avogadrolibs/Makefile b/science/avogadrolibs/Makefile index 582ad40e44c9..6ca97f1f378c 100644 --- a/science/avogadrolibs/Makefile +++ b/science/avogadrolibs/Makefile @@ -1,6 +1,6 @@ PORTNAME= avogadrolibs DISTVERSION= 1.95.1 -PORTREVISION= 2 +PORTREVISION= 3 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/octopus/Makefile b/science/octopus/Makefile index df47a8b0ff82..c8b55f7e3dbd 100644 --- a/science/octopus/Makefile +++ b/science/octopus/Makefile @@ -1,5 +1,6 @@ PORTNAME= octopus DISTVERSION= 11.4 +PORTREVISION= 1 CATEGORIES= science # chemistry MASTER_SITES= https://octopus-code.org/download/${DISTVERSION}/ diff --git a/science/py-spglib/Makefile b/science/py-spglib/Makefile index 1df3e0c64f6b..dfe562c64091 100644 --- a/science/py-spglib/Makefile +++ b/science/py-spglib/Makefile @@ -1,6 +1,6 @@ PORTNAME= spglib DISTVERSIONPREFIX= v -DISTVERSION= 1.16.5 +DISTVERSION= 2.0.1 CATEGORIES= science python PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX} @@ -14,7 +14,7 @@ BUILD_DEPENDS= ${PYNUMPY} RUN_DEPENDS= ${PYNUMPY} USES= python:3.6+ -USE_PYTHON= distutils autoplist +USE_PYTHON= distutils autoplist pytest # tests fail to run, see https://github.com/spglib/spglib/issues/192 USE_GITHUB= yes WRKSRC_SUBDIR= python diff --git a/science/py-spglib/distinfo b/science/py-spglib/distinfo index 2d505a581703..18b47482ce6a 100644 --- a/science/py-spglib/distinfo +++ b/science/py-spglib/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1651985344 -SHA256 (spglib-spglib-v1.16.5_GH0.tar.gz) = 1bbde03b6b78da756c07f458bd90d84f3c253841b9b0632db5b72c5961e87aef -SIZE (spglib-spglib-v1.16.5_GH0.tar.gz) = 2032040 +TIMESTAMP = 1665187362 +SHA256 (spglib-spglib-v2.0.1_GH0.tar.gz) = d7407c0d67174a0c5e41a82ed62948c43fcaf1b5529f97238d7fadd1123ffe22 +SIZE (spglib-spglib-v2.0.1_GH0.tar.gz) = 2879617 diff --git a/science/sirius/Makefile b/science/sirius/Makefile index 0cf736524d6e..46660b6672a5 100644 --- a/science/sirius/Makefile +++ b/science/sirius/Makefile @@ -1,7 +1,7 @@ PORTNAME= sirius DISTVERSIONPREFIX= v DISTVERSION= 7.3.2 -PORTREVISION= 1 +PORTREVISION= 2 CATEGORIES= science PKGNAMESUFFIX= -quantum-chemistry # other software also has the name "sirius" diff --git a/science/spglib/Makefile b/science/spglib/Makefile index dd68978e04ff..a4f8a8aadddf 100644 --- a/science/spglib/Makefile +++ b/science/spglib/Makefile @@ -1,6 +1,6 @@ PORTNAME= spglib DISTVERSIONPREFIX= v -DISTVERSION= 1.16.5 +DISTVERSION= 2.0.1 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -15,7 +15,22 @@ USE_GITHUB= yes USE_LDCONFIG= yes .if !exists(/usr/include/omp.h) -CMAKE_ARGS+= -DUSE_OMP:BOOL=OFF +CMAKE_OFF+= USE_OMP .endif +OPTIONS_DEFINE= FORTRAN +OPTIONS_DEFAULT= FORTRAN +OPTIONS_SUB= yes + +FORTRAN_USES= fortran +FORTRAN_CMAKE_BOOL= WITH_Fortran +FORTRAN_LDFLAGS= -lomp # workaround for: undefined reference to `__kmpc_fork_call' + +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 + .include diff --git a/science/spglib/distinfo b/science/spglib/distinfo index 30d432e2cbbd..b47dfdaee1e2 100644 --- a/science/spglib/distinfo +++ b/science/spglib/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1651984887 -SHA256 (spglib-spglib-v1.16.5_GH0.tar.gz) = 1bbde03b6b78da756c07f458bd90d84f3c253841b9b0632db5b72c5961e87aef -SIZE (spglib-spglib-v1.16.5_GH0.tar.gz) = 2032040 +TIMESTAMP = 1665185311 +SHA256 (spglib-spglib-v2.0.1_GH0.tar.gz) = d7407c0d67174a0c5e41a82ed62948c43fcaf1b5529f97238d7fadd1123ffe22 +SIZE (spglib-spglib-v2.0.1_GH0.tar.gz) = 2879617 diff --git a/science/spglib/pkg-plist b/science/spglib/pkg-plist index 9964232486b8..9304ec4c4110 100644 --- a/science/spglib/pkg-plist +++ b/science/spglib/pkg-plist @@ -1,7 +1,14 @@ +%%FORTRAN%%bin/spglib_example_fortran.X include/spglib.h include/spglib_f08.f90 +%%FORTRAN%%lib/libspglib_f08.a +%%FORTRAN%%lib/libspglib_f08.so +%%FORTRAN%%lib/libspglib_f08.so.1 +%%FORTRAN%%lib/libspglib_f08.so.2.0.1 lib/libsymspg.a lib/libsymspg.so lib/libsymspg.so.1 -lib/libsymspg.so.1.16.5 +lib/libsymspg.so.2.0.1 +%%FORTRAN%%lib/spglib_f08.mod libdata/pkgconfig/spglib.pc +%%FORTRAN%%libdata/pkgconfig/spglib_f08.pc