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science/mstore: New port: Molecular structure store for testing
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yurivict committed Jan 4, 2022
1 parent d40ba16 commit 299c87d
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1 change: 1 addition & 0 deletions science/Makefile
Expand Up @@ -166,6 +166,7 @@
SUBDIR += mpb
SUBDIR += mpqc
SUBDIR += msms
SUBDIR += mstore
SUBDIR += multiwfn
SUBDIR += namd
SUBDIR += nest
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22 changes: 22 additions & 0 deletions science/mstore/Makefile
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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>
3 changes: 3 additions & 0 deletions science/mstore/distinfo
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TIMESTAMP = 1641325651
SHA256 (grimme-lab-mstore-v0.2.0_GH0.tar.gz) = 95edba88afbc8013f57f4c818a97c0500cc40b158bed11234c061b2b6d7e480d
SIZE (grimme-lab-mstore-v0.2.0_GH0.tar.gz) = 240180
6 changes: 6 additions & 0 deletions 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
25 changes: 25 additions & 0 deletions science/mstore/pkg-plist
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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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