From nobody Wed Jun 07 04:45:31 2023 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 4QbZXX0Hvpz4bYTR; Wed, 7 Jun 2023 04:45:32 +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 4QbZXW701Dz4RKr; Wed, 7 Jun 2023 04:45:31 +0000 (UTC) (envelope-from git@FreeBSD.org) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1686113132; 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=eOtQmljPCt6LaVTyWZhk+4NVbnhh2inaVBKYmGG7ADE=; b=QthgOVjhErENxcA/DSX+SEiG05ZR2TmP+VasaL9U+rR/vqmy/CAyzvATrXWtIymCcTIAWP pxsFrpFtOZGiqwp0nwRX4AtfVdMQ1OElzttq9bEWppp/1YSLRRrvZwLYD3sjsFWEJ74fV0 sNm7s6rtPP26zqn8MhfwIzQ8gdRiVVOjV83/HOuaWBoUxuGEYBExOue00R1rtD2K94nwhC JhRAWL71XC4mgiiEG6jFr5kmjBaaBaXsMdbOQjqGBrUE7VfVwGVyG3TvzR0qTtgSFGMf0s IgSt5bUREE6CDMLUN/PiqF+3vpUsQEAuiYXgRHfG1FLuIvA8sqK+NPBj9pL7Sg== ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1686113132; 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=eOtQmljPCt6LaVTyWZhk+4NVbnhh2inaVBKYmGG7ADE=; b=rimzV2jI3TKcPUz7HvsCzqqNhOIQCUDLCNnBhE/85X7MGlMYraHY6hKzl33MiIN5NEbSfA /L7t69OXvgV0znfWO2vKpBTANuCP6kyDxBpWnI5n4nxOGk2e9YwbzoYXRZRh8CCN/MPoCE So/iXOIsc8+QLhXOhWr+Yl3Hlq4mW7CHCSygAETGdGwx5Bu/EP3rkiUP4HfmWBa6JgFjIG pUs6rEMy6f8Bhh9MlCKHopX48xXF13jriBTUFMZ9R/rhPeDkzgqRMguF54hMXYwDEMxvaM S4/LTuwd+F2Gnu7FZ3iZDbHxCnprrckHV4QH0O/9Vd4GDxU0QEOVCcxrVDiQXQ== ARC-Authentication-Results: i=1; mx1.freebsd.org; none ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1686113132; a=rsa-sha256; cv=none; b=LBnSqnahgxhIGoaJRqiN6T8uEP/K+UN3uHUjykM6VQVFvHJbZBvPvnKxw2SFzM9y4k44vn QFcMZD3EfjGmzaRHHYeB/mX8JMl8Q0C7WlKSYPNUqE3S7fT7aWjHCdakvXG3Jyhc8YZ2pH kWLqzjXEr2IwUCY0XVjoRUHB9vBnkSPsvTzK3U3m8vf5vlW2sl8NirwK69qaSko/iPjOn4 MI6fOawr3CF+ZxGbw75hsnfoT2mUNl3tKFikT2TOhzCW1E4Paz1jowz6jtbwPooHidKdSP wF4GhkKcsziZi5u6r0D9cNkGX0MUdx0xFP5NqFr4RoUmV4cuaoZg4D/p1rVaoA== 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 4QbZXW668VzyVR; Wed, 7 Jun 2023 04:45:31 +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 3574jVq3020996; Wed, 7 Jun 2023 04:45:31 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 3574jVUY020995; Wed, 7 Jun 2023 04:45:31 GMT (envelope-from git) Date: Wed, 7 Jun 2023 04:45:31 GMT Message-Id: <202306070445.3574jVUY020995@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: 68623c5fedf9 - main - =?utf-8?Q?science/tblite:=20Update=200.2.1=20=E2=86=92=200.3.0?= 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: 68623c5fedf9e7bd2434843d3bb651fc2f1ec170 Auto-Submitted: auto-generated X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=68623c5fedf9e7bd2434843d3bb651fc2f1ec170 commit 68623c5fedf9e7bd2434843d3bb651fc2f1ec170 Author: Yuri Victorovich AuthorDate: 2023-06-07 04:17:37 +0000 Commit: Yuri Victorovich CommitDate: 2023-06-07 04:45:25 +0000 science/tblite: Update 0.2.1 → 0.3.0 Reported by: portscout --- science/tblite/Makefile | 3 +-- science/tblite/distinfo | 6 +++--- science/tblite/pkg-plist | 15 +++++++++++++-- 3 files changed, 17 insertions(+), 7 deletions(-) diff --git a/science/tblite/Makefile b/science/tblite/Makefile index 0ac9b18139f3..ab9ac090200a 100644 --- a/science/tblite/Makefile +++ b/science/tblite/Makefile @@ -1,7 +1,6 @@ PORTNAME= tblite DISTVERSIONPREFIX= v -DISTVERSION= 0.2.1 -PORTREVISION= 2 +DISTVERSION= 0.3.0 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org diff --git a/science/tblite/distinfo b/science/tblite/distinfo index 785441b04031..45ef1a2c0abb 100644 --- a/science/tblite/distinfo +++ b/science/tblite/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1653189167 -SHA256 (tblite-tblite-v0.2.1_GH0.tar.gz) = 8b803f636685f862097952e7b5e6d0903f6c91b1534c5750664c7ab42a5d4c9a -SIZE (tblite-tblite-v0.2.1_GH0.tar.gz) = 473253 +TIMESTAMP = 1686109155 +SHA256 (tblite-tblite-v0.3.0_GH0.tar.gz) = 44b6ecff94b29c109f7d1afa3f49eebd3979a2b115fc7bab0c9fc1d7e61bdc27 +SIZE (tblite-tblite-v0.3.0_GH0.tar.gz) = 496111 diff --git a/science/tblite/pkg-plist b/science/tblite/pkg-plist index b44816501338..41b65992fc61 100644 --- a/science/tblite/pkg-plist +++ b/science/tblite/pkg-plist @@ -20,6 +20,7 @@ include/tblite/tblite_api_structure.mod include/tblite/tblite_api_table.mod include/tblite/tblite_api_utils.mod include/tblite/tblite_api_version.mod +include/tblite/tblite_basis.mod include/tblite/tblite_basis_ortho.mod include/tblite/tblite_basis_slater.mod include/tblite/tblite_basis_type.mod @@ -34,8 +35,10 @@ include/tblite/tblite_container_list.mod include/tblite/tblite_container_type.mod include/tblite/tblite_context.mod include/tblite/tblite_context_logger.mod +include/tblite/tblite_context_solver.mod include/tblite/tblite_context_terminal.mod include/tblite/tblite_context_type.mod +include/tblite/tblite_coulomb.mod include/tblite/tblite_coulomb_cache.mod include/tblite/tblite_coulomb_charge.mod include/tblite/tblite_coulomb_charge_effective.mod @@ -46,6 +49,7 @@ include/tblite/tblite_coulomb_multipole.mod include/tblite/tblite_coulomb_thirdorder.mod include/tblite/tblite_coulomb_type.mod include/tblite/tblite_cutoff.mod +include/tblite/tblite_data.mod include/tblite/tblite_data_atomicrad.mod include/tblite/tblite_data_covrad.mod include/tblite/tblite_data_paulingen.mod @@ -68,7 +72,11 @@ include/tblite/tblite_lapack.mod include/tblite/tblite_lapack_getrf.mod include/tblite/tblite_lapack_getri.mod include/tblite/tblite_lapack_getrs.mod +include/tblite/tblite_lapack_potrf.mod +include/tblite/tblite_lapack_solver.mod +include/tblite/tblite_lapack_sygst.mod include/tblite/tblite_lapack_sygvd.mod +include/tblite/tblite_lapack_sygvr.mod include/tblite/tblite_mesh_lebedev.mod include/tblite/tblite_ncoord.mod include/tblite/tblite_ncoord_exp.mod @@ -94,9 +102,11 @@ include/tblite/tblite_repulsion_effective.mod include/tblite/tblite_repulsion_type.mod include/tblite/tblite_results.mod include/tblite/tblite_scf.mod -include/tblite/tblite_scf_broyden.mod include/tblite/tblite_scf_info.mod include/tblite/tblite_scf_iterator.mod +include/tblite/tblite_scf_mixer.mod +include/tblite/tblite_scf_mixer_broyden.mod +include/tblite/tblite_scf_mixer_type.mod include/tblite/tblite_scf_potential.mod include/tblite/tblite_scf_solver.mod include/tblite/tblite_solvation.mod @@ -120,6 +130,7 @@ include/tblite/tblite_wavefunction_mulliken.mod include/tblite/tblite_wavefunction_spin.mod include/tblite/tblite_wavefunction_type.mod include/tblite/tblite_wignerseitz.mod +include/tblite/tblite_xtb.mod include/tblite/tblite_xtb_calculator.mod include/tblite/tblite_xtb_coulomb.mod include/tblite/tblite_xtb_gfn1.mod @@ -142,5 +153,5 @@ lib/cmake/tblite/tblite-targets.cmake lib/cmake/tblite/tblite-utils.cmake lib/libtblite.so lib/libtblite.so.0 -lib/libtblite.so.0.2.1 +lib/libtblite.so.0.3.0 libdata/pkgconfig/tblite.pc