From nobody Wed Jan 04 22:12:06 2023 X-Original-To: dev-commits-ports-all@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 4NnP3C1jb5z2pGPb; Wed, 4 Jan 2023 22:12:07 +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 4NnP3C13qPz3Lcd; Wed, 4 Jan 2023 22:12:07 +0000 (UTC) (envelope-from git@FreeBSD.org) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1672870327; 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=CMUncPUEbsMpqA/+kxGqBtlcpcMuGC74vSntzJY6pAw=; b=gUIuiAa1L7a7nARciwuhSmLMLC6GSotL3G9QS7Fdu92m5urmqOsISmUnqpAKWa9pvBtten 56NfA9bcixEYZJbBD+WM7LVkeEqYp6XKV92jSMyrrVNgAx1RMSb8IwMp5rjn5Jh73H62mk AuUKJj3FsbHypuJva61N+30NIbd5tx71a7oQSUSMIsmC44dfOBwgiO2Qriz7I8nIeIVuor Qn+DM8yMS8Cl4Q2QUoPiWZ4yPJDtaT4JXHTkw0NU67q5msY5NI3hrZBlB/uV5OxTjWbVNx TY/27h6lErc5iYVeBQ6nAqePjtZVmax2EiYyrAO//BjiekMwn3PWvIthGbSBiQ== ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1672870327; 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=CMUncPUEbsMpqA/+kxGqBtlcpcMuGC74vSntzJY6pAw=; b=tnynt4CFldX9lCIVcC6kG39gn7mGStNhmWi7Nb/N1M+47vUg9Qi0+p2NbAx9PeCkCUMBmC ofFLoRjkKYltkToeeI2fXJtlMg7BXpMZm+wosvqkNVJiGtnwgGmVgRcgg4fXmN3MKwQEcu RcuV5B+dPmwq5z6R+EM/zDOPeIHR/BloOybQElUjmZQY1T6vgxt2HS8a/N3krwQ4cjxk77 /qemlh9JH+XkQbSp7OrIFr3V84ISbw1yZxC6khTUEdBWuiUPAyCc0jS6bvu9iGleDwmfdQ +sKyxw95ENefaBgKpPL8gct33hRQV6EIyjxnRCAJ82pScb+MbjWxlCLcu2rZEA== ARC-Authentication-Results: i=1; mx1.freebsd.org; none ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1672870327; a=rsa-sha256; cv=none; b=v4UPRpOQPHgPeL6bAXzMPhs+zPRkZckAyAM4bYVo0lG7gcnXypvYFoRlM0S6O6VBs8HcDu k9rD/c2OFjGEhzVBZXkeMUr123nulnZ70tX4L6yYPzhlvpY2W0B7D4vJ8zp4rc+jYXd2n7 HJvU5hAtNBbZtOOZj7dBeUOPBhAW7jiuVNas/vs7YmntvKkbUuwwYjbO5z1e4He2g+NjPw nbEn1EouN1q8UmAseq3zcVOQyyHETATblbyMuruxrzCdK596QQpte/aAkKJbeBw+oWD+nM VPfER6JRcXiPfAP2nQROtS8Ax3SAR9uhJDWFg22mxf6OvKGzs0V7kuglWyZRRw== 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 4NnP3B6vF5zRVV; Wed, 4 Jan 2023 22:12:06 +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 304MC6fN045363; Wed, 4 Jan 2023 22:12:06 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 304MC66O045362; Wed, 4 Jan 2023 22:12:06 GMT (envelope-from git) Date: Wed, 4 Jan 2023 22:12:06 GMT Message-Id: <202301042212.304MC66O045362@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: 6381d7d0b34b - main - science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices List-Id: Commit messages for all branches of the ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-all List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-all@freebsd.org X-BeenThere: dev-commits-ports-all@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: 6381d7d0b34beb67ece3fa820c5e6104b5978210 Auto-Submitted: auto-generated X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=6381d7d0b34beb67ece3fa820c5e6104b5978210 commit 6381d7d0b34beb67ece3fa820c5e6104b5978210 Author: Yuri Victorovich AuthorDate: 2023-01-04 15:55:01 +0000 Commit: Yuri Victorovich CommitDate: 2023-01-04 22:12:02 +0000 science/libgridxc: Update 0.9.6 -> 1.1.0; Add options for MPI choices Change to cmake. PR: 267078 Submitted by: diizzy@ (previous version) --- science/libgridxc/Makefile | 34 +++++++------- science/libgridxc/distinfo | 6 +-- science/libgridxc/files/patch-CMakeLists.txt | 19 ++++++++ .../libgridxc/files/patch-config_CMakeLists.txt | 11 +++++ science/libgridxc/pkg-plist | 54 ++++++++++++++++------ 5 files changed, 91 insertions(+), 33 deletions(-) diff --git a/science/libgridxc/Makefile b/science/libgridxc/Makefile index 2c5e2fcfe078..778aa76f39f7 100644 --- a/science/libgridxc/Makefile +++ b/science/libgridxc/Makefile @@ -1,8 +1,7 @@ PORTNAME= libgridxc -DISTVERSION= 0.9.6 +DISTVERSION= 1.1.0 CATEGORIES= science -MASTER_SITES= https://gitlab.com/siesta-project/libraries/${PORTNAME}/-/archive/${PORTNAME}-${DISTVERSION}/ -DISTNAME= ${PORTNAME}-${PORTNAME}-${DISTVERSION} +MASTER_SITES= https://gitlab.com/siesta-project/libraries/${PORTNAME}/-/archive/${DISTVERSION}/ MAINTAINER= yuri@FreeBSD.org COMMENT= Library to compute the exchange and correlation energy and potentials @@ -11,27 +10,30 @@ WWW= https://gitlab.com/siesta-project/libraries/libgridxc LICENSE= BSD3CLAUSE LICENSE_FILE= ${WRKSRC}/COPYING -USES= autoreconf fortran gmake libtool +USES= cmake fortran pkgconfig USE_LDCONFIG= yes -GNU_CONFIGURE= yes +CMAKE_ON= BUILD_SHARED_LIBS -INSTALL_TARGET= install-strip +OPTIONS_SINGLE= MPI +OPTIONS_SINGLE_MPI= NOMPI MPICH OPENMPI +OPTIONS_DEFINE= LIBXC +OPTIONS_DEFAULT= LIBXC MPICH +OPTIONS_SUB= yes -OPTIONS_DEFINE= MPI LIBXC -OPTIONS_DEFAULT= # MPI LIBXC +NOMPI_DESC= Build without parallel processing support -MPI_USES= localbase:ldflags -MPI_CONFIGURE_WITH= mpi=${LOCALBASE} -MPI_VARS= FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lmpifort" -MPI_LDFLAGS= -lmpich -MPI_LIB_DEPENDS= libmpich.so:net/mpich -MPI_BROKEN= https://gitlab.com/siesta-project/libraries/libgridxc/-/issues/15 +MPICH_USES= mpi:mpich +MPICH_CMAKE_ON= -DWITH_MPI=ON +MPICH_VARS= FFLAGS+=-fallow-argument-mismatch + +OPENMPI_USES= mpi:openmpi +OPENMPI_CMAKE_ON= -DWITH_MPI=ON +OPENMPI_VARS= FFLAGS+=-fallow-argument-mismatch LIBXC_DESC= Use libxc for exchange-correlation functionals for DFT -LIBXC_CONFIGURE_WITH= libxc=${LOCALBASE} +LIBXC_CMAKE_BOOL= WITH_LIBXC LIBXC_VARS= FCFLAGS+="-I${LOCALBASE}/include" LDFLAGS+="-L${LOCALBASE}/lib -lxcf90" LIBXC_LIB_DEPENDS= libxc.so:science/libxc -LIBXC_BROKEN= https://gitlab.com/siesta-project/libraries/libgridxc/-/issues/16 .include diff --git a/science/libgridxc/distinfo b/science/libgridxc/distinfo index 8d5f7baeaa2a..38361b759c64 100644 --- a/science/libgridxc/distinfo +++ b/science/libgridxc/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1619224742 -SHA256 (libgridxc-libgridxc-0.9.6.tar.gz) = 3b89ccc02d65729ea2d7cb291ae1d9b53acd65c1fd144e8846362cffb71b114a -SIZE (libgridxc-libgridxc-0.9.6.tar.gz) = 278448 +TIMESTAMP = 1672867830 +SHA256 (libgridxc-1.1.0.tar.gz) = e7883e57a4db2438ee59437740291c06e0cfe1c8ae1901e4001f32312307e46a +SIZE (libgridxc-1.1.0.tar.gz) = 357558 diff --git a/science/libgridxc/files/patch-CMakeLists.txt b/science/libgridxc/files/patch-CMakeLists.txt new file mode 100644 index 000000000000..ed2133ef2420 --- /dev/null +++ b/science/libgridxc/files/patch-CMakeLists.txt @@ -0,0 +1,19 @@ +--- CMakeLists.txt.orig 2023-01-04 21:32:59 UTC ++++ CMakeLists.txt +@@ -128,11 +128,11 @@ install( + DESTINATION "${CMAKE_INSTALL_INCLUDEDIR}/${module-dir}" + ) + # Package license files +-install( +- FILES +- "COPYING" +- DESTINATION "${CMAKE_INSTALL_DATADIR}/licenses/${PROJECT_NAME}" +-) ++#install( ++# FILES ++# "COPYING" ++# DESTINATION "${CMAKE_INSTALL_DATADIR}/licenses/${PROJECT_NAME}" ++#) + + add_subdirectory("docs") + diff --git a/science/libgridxc/files/patch-config_CMakeLists.txt b/science/libgridxc/files/patch-config_CMakeLists.txt new file mode 100644 index 000000000000..de51fc3b20d4 --- /dev/null +++ b/science/libgridxc/files/patch-config_CMakeLists.txt @@ -0,0 +1,11 @@ +--- config/CMakeLists.txt.orig 2023-01-04 21:36:32 UTC ++++ config/CMakeLists.txt +@@ -10,7 +10,7 @@ endif() + + set( + module-dir +- "${PROJECT_NAME}/${CMAKE_Fortran_COMPILER_ID}-${CMAKE_Fortran_COMPILER_VERSION}" ++ "${PROJECT_NAME}" + ) + set(module-dir "${module-dir}" PARENT_SCOPE) + diff --git a/science/libgridxc/pkg-plist b/science/libgridxc/pkg-plist index 4917f4bef5bd..cdef24a1782d 100644 --- a/science/libgridxc/pkg-plist +++ b/science/libgridxc/pkg-plist @@ -1,16 +1,42 @@ -include/gridxc/debugxc.mod -include/gridxc/gridxc.mod -include/gridxc/gridxc_config.mod -include/gridxc/gridxc_fft_gpfa.mod -include/gridxc/m_atomxc.mod -include/gridxc/m_cellxc.mod -include/gridxc/m_ggaxc.mod -include/gridxc/m_ldaxc.mod -include/gridxc/mesh3d.mod -include/gridxc/xcmod.mod -lib/libgridxc.a +include/libgridxc/gridxc.mod +include/libgridxc/gridxc_alloc.mod +include/libgridxc/gridxc_am05.mod +include/libgridxc/gridxc_array.mod +include/libgridxc/gridxc_atom.mod +include/libgridxc/gridxc_bessph.mod +include/libgridxc/gridxc_cell.mod +include/libgridxc/gridxc_cellsubs.mod +include/libgridxc/gridxc_chkgmx.mod +include/libgridxc/gridxc_config.mod +include/libgridxc/gridxc_debugxc.mod +include/libgridxc/gridxc_fft3d.mod +include/libgridxc/gridxc_fft_gpfa.mod +include/libgridxc/gridxc_fftr.mod +include/libgridxc/gridxc_gga.mod +include/libgridxc/gridxc_gpfa_core_dp.mod +include/libgridxc/gridxc_gpfa_core_sp.mod +include/libgridxc/gridxc_hybrids.mod +include/libgridxc/gridxc_interpolation.mod +include/libgridxc/gridxc_io.mod +include/libgridxc/gridxc_lda.mod +include/libgridxc/gridxc_mesh1d.mod +include/libgridxc/gridxc_mesh3d.mod +include/libgridxc/gridxc_minvec.mod +include/libgridxc/gridxc_moreparallelsubs.mod +include/libgridxc/gridxc_precision.mod +include/libgridxc/gridxc_radfft.mod +include/libgridxc/gridxc_sorting.mod +include/libgridxc/gridxc_sys.mod +include/libgridxc/gridxc_vdwxc.mod +include/libgridxc/gridxc_vv_vdwxc.mod +include/libgridxc/gridxc_walltime.mod +include/libgridxc/gridxc_xcmod.mod +include/libgridxc/gridxc_xwpbe.mod +lib/cmake/libgridxc/libgridxc-config-version.cmake +lib/cmake/libgridxc/libgridxc-config.cmake +lib/cmake/libgridxc/libgridxc-targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/libgridxc/libgridxc-targets.cmake lib/libgridxc.so -lib/libgridxc.so.0 -lib/libgridxc.so.0.0.0 +lib/libgridxc.so.1 +lib/libgridxc.so.1.1.0 libdata/pkgconfig/libgridxc.pc -share/org.siesta-project/gridxc.mk