@@ -3,48 +3,47 @@ multicharge
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Electronegativity equilibration model for atomic partial charges
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Runtime requirements:
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- cygwin-3.5.4 -1
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+ cygwin-3.6.0 -1
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libgfortran5-12.4.0-3
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libgomp1-12.4.0-3
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- liblapack0-3.12.1-1
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+ liblapack0-3.12.1-2
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libmctc-lib0-0.3.2-1bl1
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- libmulticharge-devel-0.3.0-1bl1
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- libmulticharge0-0.3.0-1bl1
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- libopenblas-0.3.26-1
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+ libmulticharge-devel-0.3.1-1bl1
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+ libmulticharge0-0.3.1-1bl1
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pkg-config-2.3.0-1
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Build requirements:
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(besides corresponding -devel packages)
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- binutils-2.43.1 -1
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+ binutils-2.44 -1
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cmake-3.28.3-1
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cygport-0.36.9-1
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gcc-core-12.4.0-3
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gcc-fortran-12.4.0-3
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- liblapack-devel-3.12.1-1
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+ liblapack-devel-3.12.1-2
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libmctc-lib-devel-0.3.2-1bl1
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libmstore-devel-0.3.0-1bl1
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- ninja-1.12.0 -1
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+ ninja-1.12.1 -1
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Canonical website:
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https://github.com/grimme-lab/multicharge
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Canonical download:
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- https://github.com/grimme-lab/multicharge/archive/refs/tags/v0.3.0 .tar.gz
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+ https://github.com/grimme-lab/multicharge/archive/refs/tags/v0.3.1 .tar.gz
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-------------------------------------------
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Build instructions:
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- 1. unpack multicharge-0.3.0 -X-src.tar.xz
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+ 1. unpack multicharge-0.3.1 -X-src.tar.xz
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2. if you use setup to install this src package,
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it will be unpacked under /usr/src automatically
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% cd /usr/src
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- % cygport ./multicharge-0.3.0 -X.cygport all
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+ % cygport ./multicharge-0.3.1 -X.cygport all
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This will create:
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- /usr/src/multicharge-0.3.0 -X-src.tar.xz
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- /usr/src/multicharge-0.3.0 -X.tar.xz
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- /usr/src/libmulticharge0-0.3.0 -X.tar.xz
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- /usr/src/libmulticharge-devel-0.3.0 -X.tar.xz
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+ /usr/src/multicharge-0.3.1 -X-src.tar.xz
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+ /usr/src/multicharge-0.3.1 -X.tar.xz
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+ /usr/src/libmulticharge0-0.3.1 -X.tar.xz
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+ /usr/src/libmulticharge-devel-0.3.1 -X.tar.xz
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-------------------------------------------
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@@ -86,6 +85,9 @@ Files included in the binary package:
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Port Notes:
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+ ----- version 0.3.1-1bl1 -----
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+ Version bump.
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+
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----- version 0.3.0-1bl1 -----
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Version bump.
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