Date: Tue, 4 Jan 2022 20:24:18 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: 299c87d8826d - main - science/mstore: New port: Molecular structure store for testing Message-ID: <202201042024.204KOIwP013923@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=299c87d8826d47e4967f7041687a1a09a70b8e11 commit 299c87d8826d47e4967f7041687a1a09a70b8e11 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2022-01-04 19:54:03 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2022-01-04 19:54:03 +0000 science/mstore: New port: Molecular structure store for testing --- science/Makefile | 1 + science/mstore/Makefile | 22 ++++++++++++++++++++++ science/mstore/distinfo | 3 +++ science/mstore/pkg-descr | 6 ++++++ science/mstore/pkg-plist | 25 +++++++++++++++++++++++++ 5 files changed, 57 insertions(+) diff --git a/science/Makefile b/science/Makefile index 9a935be3f24f..200dc92c592e 100644 --- a/science/Makefile +++ b/science/Makefile @@ -166,6 +166,7 @@ SUBDIR += mpb SUBDIR += mpqc SUBDIR += msms + SUBDIR += mstore SUBDIR += multiwfn SUBDIR += namd SUBDIR += nest diff --git a/science/mstore/Makefile b/science/mstore/Makefile new file mode 100644 index 000000000000..6116cf08bb53 --- /dev/null +++ b/science/mstore/Makefile @@ -0,0 +1,22 @@ +PORTNAME= mstore +DISTVERSIONPREFIX= v +DISTVERSION= 0.2.0 +CATEGORIES= science # chemistry + +MAINTAINER= yuri@FreeBSD.org +COMMENT= Molecular structure store for testing + +LICENSE= APACHE20 +LICENSE_FILE= ${WRKSRC}/LICENSE + +LIB_DEPENDS= libmctc-lib.so:science/mctc-lib + +USES= cmake fortran +USE_LDCONFIG= yes + +USE_GITHUB= yes +GH_ACCOUNT= grimme-lab + +CMAKE_ON= BUILD_SHARED_LIBS + +.include <bsd.port.mk> diff --git a/science/mstore/distinfo b/science/mstore/distinfo new file mode 100644 index 000000000000..7b1be5a91acb --- /dev/null +++ b/science/mstore/distinfo @@ -0,0 +1,3 @@ +TIMESTAMP = 1641325651 +SHA256 (grimme-lab-mstore-v0.2.0_GH0.tar.gz) = 95edba88afbc8013f57f4c818a97c0500cc40b158bed11234c061b2b6d7e480d +SIZE (grimme-lab-mstore-v0.2.0_GH0.tar.gz) = 240180 diff --git a/science/mstore/pkg-descr b/science/mstore/pkg-descr new file mode 100644 index 000000000000..8edb7cc34661 --- /dev/null +++ b/science/mstore/pkg-descr @@ -0,0 +1,6 @@ +mstore is molecular structure store for testing. + +It allows to store molecular structures in computational chemistry +software. + +WWW: https://github.com/grimme-lab/mstore diff --git a/science/mstore/pkg-plist b/science/mstore/pkg-plist new file mode 100644 index 000000000000..d44910f84672 --- /dev/null +++ b/science/mstore/pkg-plist @@ -0,0 +1,25 @@ +bin/mstore-fortranize +bin/mstore-info +include/mstore/GNU-10.3.0/mstore.mod +include/mstore/GNU-10.3.0/mstore_amino20x4.mod +include/mstore/GNU-10.3.0/mstore_but14diol.mod +include/mstore/GNU-10.3.0/mstore_data_collection.mod +include/mstore/GNU-10.3.0/mstore_data_record.mod +include/mstore/GNU-10.3.0/mstore_data_store.mod +include/mstore/GNU-10.3.0/mstore_heavy28.mod +include/mstore/GNU-10.3.0/mstore_ice10.mod +include/mstore/GNU-10.3.0/mstore_il16.mod +include/mstore/GNU-10.3.0/mstore_mb16_43.mod +include/mstore/GNU-10.3.0/mstore_upu23.mod +include/mstore/GNU-10.3.0/mstore_version.mod +include/mstore/GNU-10.3.0/mstore_x23.mod +lib/cmake/mstore/Findmctc-lib.cmake +lib/cmake/mstore/mstore-config-version.cmake +lib/cmake/mstore/mstore-config.cmake +lib/cmake/mstore/mstore-targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/mstore/mstore-targets.cmake +lib/cmake/mstore/mstore-utils.cmake +lib/libmstore.so +lib/libmstore.so.0 +lib/libmstore.so.0.2.0 +libdata/pkgconfig/mstore.pc
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