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(8.16.1/8.16.1) with ESMTP id 24G2FjKg029087; Mon, 16 May 2022 02:15:45 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 24G2FjlS029086; Mon, 16 May 2022 02:15:45 GMT (envelope-from git) Date: Mon, 16 May 2022 02:15:45 GMT Message-Id: <202205160215.24G2FjlS029086@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: 5e7153934bbd - main - science/tblite: Update 0.1.0 -> 0.2.0 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: 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wZCZoyq1RWBFw1i2OPGeCHtuVx3BpvEYolmgrwzzw5FiNqyR8Wez22iT/XU1nnbKGGjUah H0nimvmeG820XXOywkQO+aALWePV87t2DnLMVi2kVZsYJn2n1vnCpab5VkNDgSCiugfPSS EdIPQ9PjyQ6spoG8fK/pREucOzWtOqBweVflllRO1gSuYnxR1xDXaoBSo+anBqWRNmCKOP qFd1HgmGdi2ea7CeWZNWNhi719j8LXcF0nWYreOmq8zHi9YXzy3uJP3+fIXHpA== 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=5e7153934bbd8a8b0638d47dc880a43425c36d3e commit 5e7153934bbd8a8b0638d47dc880a43425c36d3e Author: Yuri Victorovich AuthorDate: 2022-05-16 02:15:01 +0000 Commit: Yuri Victorovich CommitDate: 2022-05-16 02:15:01 +0000 science/tblite: Update 0.1.0 -> 0.2.0 Reported by: portscout --- science/tblite/Makefile | 3 +-- science/tblite/distinfo | 6 +++--- science/tblite/pkg-plist | 41 ++++++++++++++++++++++++++++++++--------- 3 files changed, 36 insertions(+), 14 deletions(-) diff --git a/science/tblite/Makefile b/science/tblite/Makefile index 0fa6206452a3..8a3bd755663d 100644 --- a/science/tblite/Makefile +++ b/science/tblite/Makefile @@ -1,7 +1,6 @@ PORTNAME= tblite DISTVERSIONPREFIX= v -DISTVERSION= 0.1.0 -PORTREVISION= 1 +DISTVERSION= 0.2.0 CATEGORIES= science # chemistry MAINTAINER= yuri@FreeBSD.org diff --git a/science/tblite/distinfo b/science/tblite/distinfo index 52a69a3741bb..b80e9e5bb2d9 100644 --- a/science/tblite/distinfo +++ b/science/tblite/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1642471255 -SHA256 (tblite-tblite-v0.1.0_GH0.tar.gz) = 6e0107ddf9ebb57768a455909722bea9dae3b3027290303500b233d47e0fa68b -SIZE (tblite-tblite-v0.1.0_GH0.tar.gz) = 363177 +TIMESTAMP = 1652667023 +SHA256 (tblite-tblite-v0.2.0_GH0.tar.gz) = 6cb61759139e96305da004684b2c562c788aa52f0ae8ab94fb471e3864cc3452 +SIZE (tblite-tblite-v0.2.0_GH0.tar.gz) = 469449 diff --git a/science/tblite/pkg-plist b/science/tblite/pkg-plist index 9e196e321bd8..5f5349b15dd7 100644 --- a/science/tblite/pkg-plist +++ b/science/tblite/pkg-plist @@ -1,7 +1,17 @@ bin/tblite include/tblite.h +include/tblite/calculator.h +include/tblite/container.h +include/tblite/context.h +include/tblite/error.h +include/tblite/macros.h +include/tblite/param.h +include/tblite/result.h +include/tblite/structure.h +include/tblite/table.h include/tblite/tblite_adjlist.mod include/tblite/tblite_api_calculator.mod +include/tblite/tblite_api_container.mod include/tblite/tblite_api_context.mod include/tblite/tblite_api_error.mod include/tblite/tblite_api_param.mod @@ -24,9 +34,13 @@ 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_terminal.mod include/tblite/tblite_context_type.mod include/tblite/tblite_coulomb_cache.mod include/tblite/tblite_coulomb_charge.mod +include/tblite/tblite_coulomb_charge_effective.mod +include/tblite/tblite_coulomb_charge_gamma.mod +include/tblite/tblite_coulomb_charge_type.mod include/tblite/tblite_coulomb_ewald.mod include/tblite/tblite_coulomb_multipole.mod include/tblite/tblite_coulomb_thirdorder.mod @@ -35,6 +49,7 @@ include/tblite/tblite_cutoff.mod include/tblite/tblite_data_atomicrad.mod include/tblite/tblite_data_covrad.mod include/tblite/tblite_data_paulingen.mod +include/tblite/tblite_data_spin.mod include/tblite/tblite_disp.mod include/tblite/tblite_disp_cache.mod include/tblite/tblite_disp_d3.mod @@ -54,6 +69,7 @@ include/tblite/tblite_lapack_getrf.mod include/tblite/tblite_lapack_getri.mod include/tblite/tblite_lapack_getrs.mod include/tblite/tblite_lapack_sygvd.mod +include/tblite/tblite_mesh_lebedev.mod include/tblite/tblite_ncoord.mod include/tblite/tblite_ncoord_exp.mod include/tblite/tblite_ncoord_gfn.mod @@ -76,17 +92,32 @@ include/tblite/tblite_param_thirdorder.mod include/tblite/tblite_repulsion.mod 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_potential.mod include/tblite/tblite_scf_solver.mod +include/tblite/tblite_solvation.mod +include/tblite/tblite_solvation_alpb.mod +include/tblite/tblite_solvation_born.mod +include/tblite/tblite_solvation_cds.mod +include/tblite/tblite_solvation_cpcm.mod +include/tblite/tblite_solvation_cpcm_dd.mod +include/tblite/tblite_solvation_data.mod +include/tblite/tblite_solvation_input.mod +include/tblite/tblite_solvation_surface.mod +include/tblite/tblite_solvation_type.mod +include/tblite/tblite_spin.mod include/tblite/tblite_timer.mod include/tblite/tblite_toml.mod include/tblite/tblite_version.mod +include/tblite/tblite_wavefunction.mod include/tblite/tblite_wavefunction_fermi.mod +include/tblite/tblite_wavefunction_guess.mod 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_calculator.mod @@ -97,14 +128,6 @@ include/tblite/tblite_xtb_h0.mod include/tblite/tblite_xtb_ipea1.mod include/tblite/tblite_xtb_singlepoint.mod include/tblite/tblite_xtb_spec.mod -include/tblite/calculator.h -include/tblite/context.h -include/tblite/error.h -include/tblite/macros.h -include/tblite/param.h -include/tblite/result.h -include/tblite/structure.h -include/tblite/table.h include/tblite/version.h lib/cmake/tblite/Finddftd4.cmake lib/cmake/tblite/Findmctc-lib.cmake @@ -119,5 +142,5 @@ lib/cmake/tblite/tblite-targets.cmake lib/cmake/tblite/tblite-utils.cmake lib/libtblite.so lib/libtblite.so.0 -lib/libtblite.so.0.1.0 +lib/libtblite.so.0.2.0 libdata/pkgconfig/tblite.pc