From nobody Wed Oct 26 17:58:33 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 4MyGkx3Qdgz4gp4V; Wed, 26 Oct 2022 17:58:33 +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 4MyGkx32ZWz3mJr; Wed, 26 Oct 2022 17:58:33 +0000 (UTC) (envelope-from git@FreeBSD.org) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1666807113; 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=vQ9qt1Oc3Nx6eEbKla3S+cLhWRbNk3hiNoHnNKALcHw=; b=rPGltzrO0RsFnAjpXZr1CiIGs4df7gOJKrhksqCiJuArJwDV9EPa7HkuLxqmkmkJVIKnYg TQ7WGO/9RS7kNJuiPAj7X+kHT2ygCIFfl5rc+pp7CzJx566/MbQ21nZgw0kIxep7pl26UX r1NXh6Dj25EhAGAszTbcnjMM8u3UvLI6bsjzcf7wT7anGi80fUN87jPUYDEYsAhcSi+5u/ vGGIc3s4+B8cNyExAGl62ODGP4LoJxmmV+ZAQa0h6S+cNL3eSWWvbQro+DugHj4dRLhNyZ 3DJH65mXhSTlIpvtp5B983aQdq2Lsyfagw3Xa6UC2Ywpfw9E1UhYyDmrZyNX4Q== 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 4MyGkx2472zR6Z; Wed, 26 Oct 2022 17:58:33 +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 29QHwX3I083150; Wed, 26 Oct 2022 17:58:33 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 29QHwXh0083149; Wed, 26 Oct 2022 17:58:33 GMT (envelope-from git) Date: Wed, 26 Oct 2022 17:58:33 GMT Message-Id: <202210261758.29QHwXh0083149@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Thierry Thomas Subject: git: 3a06165f1466 - main - science/helfem: chase libXC 6.0.0 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: thierry X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: 3a06165f14666b9a5e1eca2e292fe96a895dcbd2 Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1666807113; 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=vQ9qt1Oc3Nx6eEbKla3S+cLhWRbNk3hiNoHnNKALcHw=; b=lOJqCt+/YgpnDllp7+afOLiCqNwLGaMWG5a2Ro9ZGrQjLvZxHurvrzh4WACh1Lh5fA/L/P XRqXIjYsgTsvnpn0VLtmX6wB2dUCdqo1iKYYCwZZZWostYD9Jh2vKpcqvEQFCVrffmSrqZ wrNLLLTb73nHV9Y7OBAMZKtQrs41vjqsPP48eTfBcV/p3KCaTFFicjFGk8OMTSTNAqoc2k fstDjs7NZPOmURkXEWhvE+ApXKngldvgyjsnCq6Ez0UVtXh7IpVqXWy6PsifKZE1xG7Fav Fwg3ILicQh9TKMMU5/ReFOud2H08GK3VmAKEdE9Vc8o4Ce87Q6nE98XzRmGiuA== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1666807113; a=rsa-sha256; cv=none; b=iMYvBjc0dP4v9sXHeMropnKC/FhO91fqITx04VCPwGPGPkO5Sn+iW9OoO0oD4gMwrLkEWr 9KKNYM/jS+njZaYqxe/QV30Zo9198gqGJ4gS7nhR39S24Tg/arhGuzX0ThsUnHRJcrZGXr 9s3Nwj993+5CTjw6myla8Au4xAJxwG8TWLfVFxhtsqjfWiwMXbKIYkacRGAscP+r/TylKl c7MwLuL0YYIZ+r9W4+LPLT5bnDLYttlym1Rpkxez9ooOumYNKALChtVF8+YTeFMHYI0zxd iJO3Q378FCjo571u7byyvOEJiLH5oY44JV2GvbFYmHhucoYWP9b0QqKkEk1Yfg== ARC-Authentication-Results: i=1; mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by thierry: URL: https://cgit.FreeBSD.org/ports/commit/?id=3a06165f14666b9a5e1eca2e292fe96a895dcbd2 commit 3a06165f14666b9a5e1eca2e292fe96a895dcbd2 Author: Thierry Thomas AuthorDate: 2022-10-24 17:38:37 +0000 Commit: Thierry Thomas CommitDate: 2022-10-26 17:58:26 +0000 science/helfem: chase libXC 6.0.0 Patch from . PR: 267359 Approved by: yuri (maintainer) --- science/helfem/Makefile | 2 +- .../helfem/files/patch-src_general_dftfuncs.cpp | 38 ++++++++++++++++++++++ 2 files changed, 39 insertions(+), 1 deletion(-) diff --git a/science/helfem/Makefile b/science/helfem/Makefile index 6f9725df90f2..ab460cd4002f 100644 --- a/science/helfem/Makefile +++ b/science/helfem/Makefile @@ -1,6 +1,6 @@ PORTNAME= helfem DISTVERSION= g20210912 -PORTREVISION= 5 +PORTREVISION= 6 CATEGORIES= science # chemistry PATCH_SITES= https://github.com/${GH_ACCOUNT}/${GH_PROJECT}/commit/ diff --git a/science/helfem/files/patch-src_general_dftfuncs.cpp b/science/helfem/files/patch-src_general_dftfuncs.cpp new file mode 100644 index 000000000000..999399167b70 --- /dev/null +++ b/science/helfem/files/patch-src_general_dftfuncs.cpp @@ -0,0 +1,38 @@ +--- src/general/dftfuncs.cpp.orig 2021-09-12 09:32:14 UTC ++++ src/general/dftfuncs.cpp +@@ -388,7 +388,7 @@ double exact_exchange(int func_id) { + throw std::runtime_error(oss.str()); + } + +-#if XC_MAJOR_VERSION < 6 ++#if XC_MAJOR_VERSION < 7 + switch(func.info->family) + { + #ifdef XC_FAMILY_HYB_LDA +@@ -431,7 +431,7 @@ bool is_supported(int func_id) { + throw std::runtime_error(oss.str()); + } + // Get flag +-#if XC_MAJOR_VERSION >= 6 ++#if XC_MAJOR_VERSION > 6 + switch(xc_hyb_type(&func)) { + case(XC_HYB_SEMILOCAL): + case(XC_HYB_HYBRID): +@@ -463,7 +463,7 @@ void is_range_separated(int func_id, bool & erf, bool + throw std::runtime_error(oss.str()); + } + // Get flag +-#if XC_MAJOR_VERSION < 6 ++#if XC_MAJOR_VERSION < 7 + erf=(func.info->flags & XC_FLAGS_HYB_CAM) || (func.info->flags & XC_FLAGS_HYB_LC); + yukawa=(func.info->flags & XC_FLAGS_HYB_CAMY) || (func.info->flags & XC_FLAGS_HYB_LCY); + #else +@@ -507,7 +507,7 @@ void range_separation(int func_id, double & omega, dou + throw std::runtime_error(oss.str()); + } + +-#if XC_MAJOR_VERSION >= 6 ++#if XC_MAJOR_VERSION > 6 + switch(xc_hyb_type(&func)) { + case(XC_HYB_SEMILOCAL): + break;