From nobody Wed Oct 26 17:58:32 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 4MyGkw2RZTz4gpGl; Wed, 26 Oct 2022 17:58:32 +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 4MyGkw21qnz3mLg; Wed, 26 Oct 2022 17:58:32 +0000 (UTC) (envelope-from git@FreeBSD.org) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1666807112; 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=x9X2oBZ0mWtiSFp9bqRQ1q+Y/nb0pbB1juUTwM45fMk=; b=p7+C70PMEF2+bOtFf1jrR55vkytF57KUvW/mL9xzIU6ldyZDhKSMEysHEazVC8Fr5pkb9A G72Sfb19h90zZ7m18SxYuQ4TM9cQRMqkuSdMwZAvxkXqv15nZW1yQsHcYKXqPtHbU/b/Ni rynK7VY/dedpZPO2R9BrKETBcbX6HBr+RzDt7GS/ras4dDQYom0nHlu+noGqPSLx7pnKtK WNaBtOG/p8WfCCZr2JDdtk1cUIXdNcEjkqG7mIdMLYkdq3fxnmc163gAicX2Kd8xlyt2JH YJVujJPKypYzDPnMMkYuSeIu04tEKXoO6VdVUYpoEiOQP1flSk8Km+Rutu84jQ== 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 4MyGkw12twzRYR; Wed, 26 Oct 2022 17:58:32 +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 29QHwWms083124; Wed, 26 Oct 2022 17:58:32 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 29QHwWhm083123; Wed, 26 Oct 2022 17:58:32 GMT (envelope-from git) Date: Wed, 26 Oct 2022 17:58:32 GMT Message-Id: <202210261758.29QHwWhm083123@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: fb5d8423ae1d - main - science/erkale: 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: fb5d8423ae1d43ff5012df1e37ba8b8c843a69fe Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1666807112; 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=x9X2oBZ0mWtiSFp9bqRQ1q+Y/nb0pbB1juUTwM45fMk=; b=NVpLKsFkdnIyCyC/HfDuu5q5ZGZpslrdNH07qsrxprl2mniRu0g5X8jcgw2oOd6ZNAWhGl NxrZYa10IUmdzw4+b0CEDYL+Uxx1bePsrCgEF2L/+olkdWAjZbRn5VYJ2uhl+H9yLd6FRr G8GbibWlEOvB7oME2r8G8xuJHW56aHMku5INMYXfab9E1ZeT0iDV0JyYjDn2r0VsqYwBGv XCQEK6bTGlVF/UrqCK9LNuMLDW63atvkxOPX9KzX5HVKWd2t2GO/ff9OJPsJnlTLeYCa3V CDO/A8hya9Ju/0dHSRb8IqfapLUngg0yhYZa+gHObOo4i+dFeeS9XKmu5CNZrg== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1666807112; a=rsa-sha256; cv=none; b=ZtDaXshjanyoHKv9V1HGeX9bdokm8VOfBVjD3oWV/sLAMACnV06xZWetutCYVr8aTjgL78 1s+ym3liFkQ4QYsNTEkL8+3B6U+zLFvhHIXs33TvhhUgo6JsCpL7hXiwGR6hI86CjO5S/0 K0yONnCgitOIILbj93fbtMGiqaAls4X8ZDUE9xu8KaXLY+aZjk8qp1xlPo3CIDDbKD824k tRaZwBilS4i4uMD5+K+jYMA7AviCx4uOG02oBDPkryRVNsu94FzmuVmtEfSSWFc0LzyZtY BWSyoJZSzkLufVcYRCo4xtFvx+7N9OYLKXWOAPe4iBYbXNzWoANYMsrVsJ2dOQ== 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=fb5d8423ae1d43ff5012df1e37ba8b8c843a69fe commit fb5d8423ae1d43ff5012df1e37ba8b8c843a69fe Author: Thierry Thomas AuthorDate: 2022-10-24 16:22:19 +0000 Commit: Thierry Thomas CommitDate: 2022-10-26 17:58:26 +0000 science/erkale: chase libXC 6.0.0 Patch from . PR: 267358 Approved by: yuri (maintainer) --- science/erkale/Makefile | 2 +- science/erkale/files/patch-src_dftfuncs.cpp | 38 +++++++++++++++++++++++++++++ 2 files changed, 39 insertions(+), 1 deletion(-) diff --git a/science/erkale/Makefile b/science/erkale/Makefile index 776388757f96..5a47285ac273 100644 --- a/science/erkale/Makefile +++ b/science/erkale/Makefile @@ -1,6 +1,6 @@ PORTNAME= erkale DISTVERSION= g20220405 -PORTREVISION= 3 +PORTREVISION= 4 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org diff --git a/science/erkale/files/patch-src_dftfuncs.cpp b/science/erkale/files/patch-src_dftfuncs.cpp new file mode 100644 index 000000000000..7961ddc433b2 --- /dev/null +++ b/science/erkale/files/patch-src_dftfuncs.cpp @@ -0,0 +1,38 @@ +--- src/dftfuncs.cpp.orig 2022-04-05 18:34:51 UTC ++++ src/dftfuncs.cpp +@@ -434,7 +434,7 @@ double exact_exchange(int func_id) { + } + + +-#if XC_MAJOR_VERSION >= 6 ++#if XC_MAJOR_VERSION > 6 + switch(xc_hyb_type(&func)) { + case(XC_HYB_HYBRID): + f=xc_hyb_exx_coef(&func); +@@ -480,7 +480,7 @@ 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): +@@ -514,7 +514,7 @@ bool is_range_separated(int func_id, bool check) { + oss << "Functional "<= 6 ++#if XC_MAJOR_VERSION > 6 + ans=(xc_hyb_type(&func) == XC_HYB_CAM); + #else + // Get flag +@@ -571,7 +571,7 @@ void range_separation(int func_id, double & omega, dou + xc_func_set_ext_params(&func, pars.memptr()); + } + +-#if XC_MAJOR_VERSION >= 6 ++#if XC_MAJOR_VERSION > 6 + switch(xc_hyb_type(&func)) { + case(XC_HYB_HYBRID): + case(XC_HYB_CAM):