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Tue, 4 Oct 2022 02:40:34 GMT (envelope-from git) Date: Tue, 4 Oct 2022 02:40:34 GMT Message-Id: <202210040240.2942eYGo024478@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: fdff0a760802 - main - science/dssp: New port: Application to assign secondary structure to proteins 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: refs/heads/main X-Git-Reftype: branch X-Git-Commit: fdff0a76080203275164e33d8892f6b2f9f0788d Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; c=relaxed/relaxed; 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mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=fdff0a76080203275164e33d8892f6b2f9f0788d commit fdff0a76080203275164e33d8892f6b2f9f0788d Author: Yuri Victorovich AuthorDate: 2022-10-04 02:38:26 +0000 Commit: Yuri Victorovich CommitDate: 2022-10-04 02:40:28 +0000 science/dssp: New port: Application to assign secondary structure to proteins --- science/Makefile | 1 + science/dssp/Makefile | 25 +++++++++++++++++++++++++ science/dssp/distinfo | 3 +++ science/dssp/pkg-descr | 4 ++++ 4 files changed, 33 insertions(+) diff --git a/science/Makefile b/science/Makefile index 97d726fb641f..a05b9a0a20e2 100644 --- a/science/Makefile +++ b/science/Makefile @@ -74,6 +74,7 @@ SUBDIR += dkh SUBDIR += dlib-cpp SUBDIR += drawxtl + SUBDIR += dssp SUBDIR += dvc SUBDIR += dwave-preprocessing SUBDIR += dynare diff --git a/science/dssp/Makefile b/science/dssp/Makefile new file mode 100644 index 000000000000..b1051eb1f8fb --- /dev/null +++ b/science/dssp/Makefile @@ -0,0 +1,25 @@ +PORTNAME= dssp +DISTVERSIONPREFIX= v +DISTVERSION= 4.0.5 +CATEGORIES= science + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Application to assign secondary structure to proteins +WWW= https://github.com/PDB-REDO/dssp + +LICENSE= BSD2CLAUSE +LICENSE_FILE= ${WRKSRC}/LICENSE + +BUILD_DEPENDS= mrc:devel/mrc +LIB_DEPENDS= libboost_iostreams.so:devel/boost-libs \ + libcifpp.so:science/libcifpp + +USES= cmake:noninja compiler:c++17-lang # ninja breaks when mrc is present + +USE_GITHUB= yes +GH_ACCOUNT= PDB-REDO + +PLIST_FILES= bin/mkdssp \ + share/man/man1/mkdssp.1.gz + +.include diff --git a/science/dssp/distinfo b/science/dssp/distinfo new file mode 100644 index 000000000000..7f22289fb6f3 --- /dev/null +++ b/science/dssp/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1664849148 +SHA256 (PDB-REDO-dssp-v4.0.5_GH0.tar.gz) = 759f8fd32c57dfc7c3eed5535d3bc04db13f7de1a5deda8862cebfafcbca84b0 +SIZE (PDB-REDO-dssp-v4.0.5_GH0.tar.gz) = 123019 diff --git a/science/dssp/pkg-descr b/science/dssp/pkg-descr new file mode 100644 index 000000000000..2dd64408795f --- /dev/null +++ b/science/dssp/pkg-descr @@ -0,0 +1,4 @@ +dssp-4 is a rewrite of DSSP, now offering full mmCIF support. The difference +with previous releases of DSSP is that it now writes out an annotated mmCIF +file by default, storing the secondary structure information in the +_struct_conf category.