From nobody Sun Jul 17 06:28:16 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 4LlwC46dG6z4TMJH; Sun, 17 Jul 2022 06:28:16 +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 4LlwC468PBz40ld; Sun, 17 Jul 2022 06:28:16 +0000 (UTC) (envelope-from git@FreeBSD.org) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1658039296; 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=u4zuaqReZL1p2qpxgF3pw1n74fbPuK6Hqm0tWzgG38w=; b=m1J5PbxmT37VQ3KtBBoRlk92wT7BSEJjnbualZujMC/bchAC6wqKlCtlXNfwoJ8l73Yp1u LbQg9efxaMxj4WtRdcjn1xgn2jaF8rPZyLCCA3I45tqyqyoy70mQr+RX0N+KRkLfgguUbG EO3gnsOLJ4PKUoGOdulvpwDd4567KV/Z1sEdjremrPW2CpBl4b8KZNh0ueSRBHEatvHU/d y5ySSJhSrjGMS4SFCpPEFjQDd0ylk39EuMiECX6RHFGiBI/csh75hyX5ZXWPpC/5wCNy7P dRSlxY9X7BrB8kUmcA//UsSZgBaXW3cKo1r1guyizQ7KEmSXrDGJV/T4vi270w== 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 4LlwC45BvJzqL1; Sun, 17 Jul 2022 06:28:16 +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 26H6SGsH009834; Sun, 17 Jul 2022 06:28:16 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.16.1/8.16.1/Submit) id 26H6SGCj009833; Sun, 17 Jul 2022 06:28:16 GMT (envelope-from git) Date: Sun, 17 Jul 2022 06:28:16 GMT Message-Id: <202207170628.26H6SGCj009833@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: 4a9dc8042351 - main - science/kplib: New port: Library for finding optimal Generalized Monkhorst-Pack k-points grid 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: 4a9dc80423516032797f52d313a786892395f251 Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1658039296; 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=u4zuaqReZL1p2qpxgF3pw1n74fbPuK6Hqm0tWzgG38w=; b=DyxUBoIJvrsAjF1TItF0Q9PyOiL/AFrbbuTgK2ofYcR7fVZdLQYWpo07xhi9tixwKZgUMx tU6+/1rL4hdZY+08DafBPvaekLUUvzyjaqm6x8Zd/wZGS38B5Du9DmPB75aYUiB5U5ZM2j /fPin6vEFquX5y1pakSxPEarO2EeW7OdFJhsIk8B1CUJiiN4ZzFvrkMJGlgUu3Ltr3FmNk LSobFDBKFCHNhmLrsHIOsE/cXaOf/qx+aFgeNxmVu1Jk7mcw0uaBCXIbGexQ04awXEzAPL pTgbH9Ib5tsVgMycnBS8WhUsBm0N6byNAR/i3yDIPU1Brmczy0OoYbUhBW6xXQ== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1658039296; a=rsa-sha256; cv=none; b=cWlCTrY6iKDDV7b7SFQbl89Fb+TRPMLpZQW7Tx6Cjsohu5kQ8Mol3czNSZf36XeMBy26nQ C854JFn++uWVQMwWxqG82/TLP7TB0StiiNihyt8I22e9Lg5p3WfGv4okdy4jhx1bpgDUcM EgJ34YUTrmGWiPEmZ8G7kgtp0jdjaTqpXZ9CuIeWA1s+czZ5488Zxpq4DLI3M9KPUNER16 wlZaFcBLJxaRE1nnuH0Up8Suny17tHpmbwxiWP2+eymzbRtgYfNYA10O8VH2QcoP7h2pAg UBgpnyvjyycd4/kkiBq4xv+t1Z1gbF8vQkbb/V+ui4hPNsEIyoOw/MadGuVObw== 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=4a9dc80423516032797f52d313a786892395f251 commit 4a9dc80423516032797f52d313a786892395f251 Author: Yuri Victorovich AuthorDate: 2022-07-17 06:02:16 +0000 Commit: Yuri Victorovich CommitDate: 2022-07-17 06:28:14 +0000 science/kplib: New port: Library for finding optimal Generalized Monkhorst-Pack k-points grid --- science/Makefile | 1 + science/kplib/Makefile | 31 +++++++++++++++++++++++++++++++ science/kplib/distinfo | 3 +++ science/kplib/pkg-descr | 7 +++++++ 4 files changed, 42 insertions(+) diff --git a/science/Makefile b/science/Makefile index aa586dc7cb5b..cdf4776d6074 100644 --- a/science/Makefile +++ b/science/Makefile @@ -123,6 +123,7 @@ SUBDIR += jstrack SUBDIR += kalzium SUBDIR += kim-api + SUBDIR += kplib SUBDIR += kst2 SUBDIR += lammps SUBDIR += lamprop diff --git a/science/kplib/Makefile b/science/kplib/Makefile new file mode 100644 index 000000000000..640ae04db7a4 --- /dev/null +++ b/science/kplib/Makefile @@ -0,0 +1,31 @@ +PORTNAME= kplib +DISTVERSION= 1.0.5 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Library for finding optimal Generalized Monkhorst-Pack k-points grid + +LICENSE= APACHE20 +LICENSE_FILE= ${WRKSRC}/LICENSE + +USES= cmake compiler:c++11-lang +USE_LDCONFIG= yes + +USE_GITLAB= yes +GL_ACCOUNT= muellergroup +GL_COMMIT= 9f96d56d32f67a019066025e044dcd9e3b3316ea + +PLIST_FILES= include/kPointLattice.h \ + include/kPointLatticeGenerator.h \ + include/msmath.h \ + lib/libkpoints.a \ + lib/libkpoints.so + +do-install: + ${INSTALL_DATA} ${WRKSRC}/src/msmath.h ${STAGEDIR}${PREFIX}/include + ${INSTALL_DATA} ${WRKSRC}/src/kPointLattice.h ${STAGEDIR}${PREFIX}/include + ${INSTALL_DATA} ${WRKSRC}/src/kPointLatticeGenerator.h ${STAGEDIR}${PREFIX}/include + ${INSTALL_LIB} ${BUILD_WRKSRC}/libkpoints.so ${STAGEDIR}${PREFIX}/lib + ${INSTALL_DATA} ${BUILD_WRKSRC}/libkpoints.a ${STAGEDIR}${PREFIX}/lib + +.include diff --git a/science/kplib/distinfo b/science/kplib/distinfo new file mode 100644 index 000000000000..a808f305a6e5 --- /dev/null +++ b/science/kplib/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1658037110 +SHA256 (muellergroup-kplib-9f96d56d32f67a019066025e044dcd9e3b3316ea_GL0.tar.gz) = c6d99d9d39bbc7210bb089b5e235ec47f2b0b26e2a22a0cc8b68d25c48fca9fd +SIZE (muellergroup-kplib-9f96d56d32f67a019066025e044dcd9e3b3316ea_GL0.tar.gz) = 2963334 diff --git a/science/kplib/pkg-descr b/science/kplib/pkg-descr new file mode 100644 index 000000000000..85bac397b280 --- /dev/null +++ b/science/kplib/pkg-descr @@ -0,0 +1,7 @@ +KpLib is a C++ library for finding the optimal Generalized +Monkhorst-Pack k-points grid. It can be imported into +electronic-structure packages as a generator of efficient +generalized k-point grids, or be integrated into user scripts through +the python interface. + +WWW: https://gitlab.com/muellergroup/kplib