From nobody Mon Sep 02 07:54:48 2024 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 4Wy1Hr3HhPz5Mjfv; Mon, 02 Sep 2024 07:54:48 +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 "R11" (verified OK)) by mx1.freebsd.org (Postfix) with ESMTPS id 4Wy1Hr2bqZz59L3; Mon, 2 Sep 2024 07:54:48 +0000 (UTC) (envelope-from git@FreeBSD.org) DKIM-Signature: v=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1725263688; 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=0uIwCWvf/F9RFdOU1rNP4IqkqZAeNhM9kQ1aYuWhkNs=; b=agysVu6bTuN2nOBiesq6DZR3ZXSk80obhqL7+hGVI32jCA8u4ikfy5zrzDbwGXyDHuIMhd SuV/z9+ZOGKyY15iv3/WN+Q5yM2YC8jGUZzzpSq7qE6EWbXz9mK/WcIhHoJoZBWFoJ41yN QQqw/SkJYSuYvzN2zHmQZftIaXapuejvw9z1ECtILFrd7misNnE1jjhe5TWX4IfQw+fIMH ESIYPwWXmcVv+hbgLVLRkF+dZnPyQsGZEomJGo7rdMQ0tPR3CnNx+eGC0e7X9UtZFi6sxy KA+I1fltmD1gSMUftwJlBQVx/5ubUYWc5kbd5evbnNE/01GKbCJOT2/kcKfdnQ== ARC-Seal: i=1; s=dkim; d=freebsd.org; t=1725263688; a=rsa-sha256; cv=none; b=Ws5KVo24lYXpMJEWIdBDNcCCKWdx70YiZvL8kDyzUaCeiUPatXzVSW1UbYeKhJmpIY2GXW JIO/E28QfSuSYHCogDJBRGt627eT+mBidTAMvwVtOyHAbP7yqDV2Edb26N3zQIIK5h/Iiz uGkuIZuZwaKJFXyQtgsSRMTfD5OiFUvwp2k0+8kby1n5/lrIc5ZgLBoJ6w8C1ywkACfkvQ HWa95IeyNeU7CIZmPyL78lRu6/Yzx4M+RSDI7bXql48UjstY7Izzr9G+4YwOJJWiAyxo56 cqe+Yadlky/FYEuvWfx6MmhD62Ah3HdsFpVIUJ5Fjd0uYvf0CsDPFIoV1j3nBg== ARC-Authentication-Results: i=1; mx1.freebsd.org; none ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; d=freebsd.org; s=dkim; t=1725263688; 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=0uIwCWvf/F9RFdOU1rNP4IqkqZAeNhM9kQ1aYuWhkNs=; b=mCMWo3z8cZ5uoQ8898uDO3WXidqX6vtFi2lkKv5QZCoTuMnd8IESuX4T5j1lFVbrRXifFN /C5HYq+1Mhf5zPH0QdGZVOhC2uMKGz7HSxtMIjP3TRHzk3Xp2Yv8S7QQP+XyXwThfEXXk+ bZfVUowEgOhhwuugejC1s9iA8xonbjxYZVTm7W12hRtyLTnAK5buGI8Q0QDTTcihk8oo8b uaexWK8ttzigBKTXxqdfBi32xLH+BScfYJfA2/hykrAMGCoTKHSDIHqJo8N8/SXGjEdnVz M19GPJpzFW8EPRL/hnN2mS0IxdBt/7kU0mxhdGDeenGBrXihzrbXTscrtEubzQ== 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 4Wy1Hr2980z14G3; Mon, 2 Sep 2024 07:54:48 +0000 (UTC) (envelope-from git@FreeBSD.org) Received: from gitrepo.freebsd.org ([127.0.1.44]) by gitrepo.freebsd.org (8.18.1/8.18.1) with ESMTP id 4827smZU011632; Mon, 2 Sep 2024 07:54:48 GMT (envelope-from git@gitrepo.freebsd.org) Received: (from git@localhost) by gitrepo.freebsd.org (8.18.1/8.18.1/Submit) id 4827sm40011629; Mon, 2 Sep 2024 07:54:48 GMT (envelope-from git) Date: Mon, 2 Sep 2024 07:54:48 GMT Message-Id: <202409020754.4827sm40011629@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: ddb5a455d7dd - main - science/libpsml: New port: Library to handle pseudopotentials in PSML format 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: X-BeenThere: dev-commits-ports-main@freebsd.org Sender: owner-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: ddb5a455d7dd2978fb2b4ee27a30c5c7dbb9a028 Auto-Submitted: auto-generated The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=ddb5a455d7dd2978fb2b4ee27a30c5c7dbb9a028 commit ddb5a455d7dd2978fb2b4ee27a30c5c7dbb9a028 Author: Yuri Victorovich AuthorDate: 2024-09-02 01:56:13 +0000 Commit: Yuri Victorovich CommitDate: 2024-09-02 07:54:42 +0000 science/libpsml: New port: Library to handle pseudopotentials in PSML format --- science/Makefile | 1 + science/libpsml/Makefile | 23 +++++++++++++++++++++++ science/libpsml/distinfo | 3 +++ science/libpsml/files/patch-CMakeLists.txt | 11 +++++++++++ science/libpsml/pkg-descr | 4 ++++ science/libpsml/pkg-plist | 24 ++++++++++++++++++++++++ 6 files changed, 66 insertions(+) diff --git a/science/Makefile b/science/Makefile index 240e96c68189..01ee51c6684c 100644 --- a/science/Makefile +++ b/science/Makefile @@ -159,6 +159,7 @@ SUBDIR += libmsym SUBDIR += libnegf SUBDIR += liboglappth + SUBDIR += libpsml SUBDIR += libquantum SUBDIR += libssm SUBDIR += libsvm diff --git a/science/libpsml/Makefile b/science/libpsml/Makefile new file mode 100644 index 000000000000..1e855d3c4413 --- /dev/null +++ b/science/libpsml/Makefile @@ -0,0 +1,23 @@ +PORTNAME= libpsml +DISTVERSION= 2.1.0 +CATEGORIES= science # quantum-chemistry + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Library to handle pseudopotentials in PSML format +WWW= https://gitlab.com/siesta-project/libraries/libpsml + +LICENSE= BSD3CLAUSE +LICENSE_FILE= ${WRKSRC}/LICENSE + +LIB_DEPENDS= libxmlf90.so:textproc/xmlf90 + +USES= cmake fortran +USE_LDCONFIG= yes + +USE_GITLAB= yes +GL_ACCOUNT= siesta-project/libraries +GL_TAGNAME= 508cffb93bcb2137a64472f4d9623ba42748aaa9 + +CMAKE_ON= BUILD_SHARED_LIBS + +.include diff --git a/science/libpsml/distinfo b/science/libpsml/distinfo new file mode 100644 index 000000000000..387ba17cfaaa --- /dev/null +++ b/science/libpsml/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1725241484 +SHA256 (siesta-project/libraries-libpsml-508cffb93bcb2137a64472f4d9623ba42748aaa9_GL0.tar.gz) = 100b1cd45cb573bfaf35c6c1561f7686e4856d65b5d1545b9d71aa8ffd170bc7 +SIZE (siesta-project/libraries-libpsml-508cffb93bcb2137a64472f4d9623ba42748aaa9_GL0.tar.gz) = 866992 diff --git a/science/libpsml/files/patch-CMakeLists.txt b/science/libpsml/files/patch-CMakeLists.txt new file mode 100644 index 000000000000..b20548b6eed5 --- /dev/null +++ b/science/libpsml/files/patch-CMakeLists.txt @@ -0,0 +1,11 @@ +--- CMakeLists.txt.orig 2024-09-02 01:46:42 UTC ++++ CMakeLists.txt +@@ -75,7 +75,7 @@ set(module-dir + include(GNUInstallDirs) + + set(module-dir +- "${PROJECT_NAME}/${CMAKE_Fortran_COMPILER_ID}-${CMAKE_Fortran_COMPILER_VERSION}" ++ "${PROJECT_NAME}" + ) + + target_include_directories( diff --git a/science/libpsml/pkg-descr b/science/libpsml/pkg-descr new file mode 100644 index 000000000000..571d9da164cb --- /dev/null +++ b/science/libpsml/pkg-descr @@ -0,0 +1,4 @@ +libPSML is a library for handling PSML pseudopotential files. + +The psml format and library are used for norm-conserving pseudopotential data +curation and interoperability. diff --git a/science/libpsml/pkg-plist b/science/libpsml/pkg-plist new file mode 100644 index 000000000000..a58c1d92c4c0 --- /dev/null +++ b/science/libpsml/pkg-plist @@ -0,0 +1,24 @@ +include/libpsml/m_psml.mod +include/libpsml/m_psml_api.mod +include/libpsml/m_psml_assoc_list.mod +include/libpsml/m_psml_class_grid.mod +include/libpsml/m_psml_core.mod +include/libpsml/m_psml_dump.mod +include/libpsml/m_psml_external_interfaces.mod +include/libpsml/m_psml_interp.mod +include/libpsml/m_psml_parsing_helpers.mod +include/libpsml/m_psml_ps_edit.mod +include/libpsml/m_psml_reader.mod +include/libpsml/m_psml_strings_helpers.mod +include/libpsml/m_psml_tables.mod +lib/cmake/libpsml/FindCustomxmlf90.cmake +lib/cmake/libpsml/LibpsmlFindPackage.cmake +lib/cmake/libpsml/check_xmlf90_stat.cmake +lib/cmake/libpsml/libpsml-config-version.cmake +lib/cmake/libpsml/libpsml-config.cmake +lib/cmake/libpsml/libpsml-targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/libpsml/libpsml-targets.cmake +lib/libpsml.so +lib/libpsml.so.2 +lib/libpsml.so.2.1.0 +libdata/pkgconfig/libpsml.pc