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FreeBSD
FreeBSD ports
Commits
b5f69990
Commit
b5f69990
authored
2 years ago
by
Yuri Victorovich
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science/mopac: Update 7.1.15 -> 22.0.5
parent
c198e106
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4
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4 changed files
science/mopac/Makefile
+18
-29
18 additions, 29 deletions
science/mopac/Makefile
science/mopac/distinfo
+3
-3
3 additions, 3 deletions
science/mopac/distinfo
science/mopac/pkg-plist
+0
-8
0 additions, 8 deletions
science/mopac/pkg-plist
science/py-qcengine/Makefile
+1
-1
1 addition, 1 deletion
science/py-qcengine/Makefile
with
22 additions
and
41 deletions
science/mopac/Makefile
+
18
−
29
View file @
b5f69990
PORTNAME
=
mopac
POR
TVERSION
=
7.
${
MOPAC_SUBVERSION
}
PORTREVISION
=
8
DIS
TVERSION
PREFIX
=
v
DISTVERSION
=
22.0.5
PORTEPOCH
=
1
CATEGORIES
=
science
# chemistry
MASTER_SITES
=
http://bioinformatics.org/ghemical/download/%SUBDIR%/
MASTER_SITE_SUBDIR
=
release20111012 current
DISTNAME
=
mopac7-
${
MOPAC_SUBVERSION
}
MAINTAINER
=
yuri@FreeBSD.org
COMMENT
=
Semi-empirical
(
MNDO, etc.
)
molecular orbital calculation
WWW
=
http
s
://
bioinformatics.org/ghemical
/
WWW
=
http://
openmopac.net
/
LICENSE
=
GPLv2+
LICENSE
=
GPLv3
LICENSE_FILE
=
${
WRKSRC
}
/COPYING
USES
=
fortran gmake libtool pathfix
GNU_CONFIGURE
=
yes
INSTALL_TARGET
=
install-strip
USE_LDCONFIG
=
yes
CPPFLAGS
+=
-I
${
LOCALBASE
}
/include
LDFLAGS
+=
-L
${
LOCALBASE
}
/lib
TEST_DEPENDS
=
${
PYNUMPY
}
PORTEXAMPLES
=
*
OPTIONS_DEFINE
=
EXAMPLES
USES
=
blaslapack:openblas cmake:testing fortran python:test
USE_LDCONFIG
=
yes
MOPAC_SUBVERSION
=
1.15
USE_GITHUB
=
yes
GH_ACCOUNT
=
openmopac
post-patch
:
@${
REINPLACE_CMD
}
-e
'/usage/s|run_||g'
\
-e
's|./src/mopac7|
${
PREFIX
}
/libexec/mopac7|g'
\
${
WRKSRC
}
/run_
${
PORTNAME
}
7
CMAKE_OFF
=
TESTS
CMAKE_TESTING_ON
=
TESTS
CMAKE_ARGS
=
-DPython3_EXECUTABLE
=
${
PYTHON_CMD
}
#-DPython3_NumPy_INCLUDE_DIRS=
${
PYTHONPREFIX_SITELIBDIR
}
/numpy/core/include
post-install
:
${
INSTALL_SCRIPT
}
${
WRKSRC
}
/run_
${
PORTNAME
}
7
\
${
STAGEDIR
}${
PREFIX
}
/bin/
${
PORTNAME
}
7
${
INSTALL_PROGRAM
}
${
WRKSRC
}
/fortran/.libs/
${
PORTNAME
}
7
\
${
STAGEDIR
}${
PREFIX
}
/libexec/
${
PORTNAME
}
7
@${
MKDIR
}
${
STAGEDIR
}${
EXAMPLESDIR
}
/test
${
INSTALL_DATA
}
${
WRKSRC
}
/tests/
*
.dat
${
STAGEDIR
}${
EXAMPLESDIR
}
/test
PLIST_FILES
=
bin/mopac
\
bin/mopac-makpol
\
bin/mopac-param
\
lib/libmopac.so
\
lib/libmopac.so.1
.
include
<bsd.port.mk>
This diff is collapsed.
Click to expand it.
science/mopac/distinfo
+
3
−
3
View file @
b5f69990
TIMESTAMP = 16
55625116
SHA256 (mopac
7-1.15.tar.gz) = 6d7ac5d78522db70f7794fd816cea32829cfa9e93774202fe80ba5a54375fbaa
SIZE (mopac
7-1.15
.tar.gz) =
764
547
TIMESTAMP = 16
68486249
SHA256 (
open
mopac
-mopac-v22.0.5_GH0.tar.gz) = 48214514a7879fc5253db932a397fbfea0f35627c66694e170db1323454a1acc
SIZE (
open
mopac
-mopac-v22.0.5_GH0
.tar.gz) =
15781
547
This diff is collapsed.
Click to expand it.
science/mopac/pkg-plist
deleted
100644 → 0
+
0
−
8
View file @
c198e106
bin/mopac7
include/mopac7/libmopac7.h
lib/libmopac7.a
lib/libmopac7.so
lib/libmopac7.so.1
lib/libmopac7.so.1.0.13
libdata/pkgconfig/libmopac7.pc
libexec/mopac7
This diff is collapsed.
Click to expand it.
science/py-qcengine/Makefile
+
1
−
1
View file @
b5f69990
...
...
@@ -17,7 +17,7 @@ RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}py-cpuinfo>0:sysutils/py-py-cpuinfo@${PY_FLA
${
PYTHON_PKGNAMEPREFIX
}
qcelemental>
=
0.24.0:science/py-qcelemental@
${
PY_FLAVOR
}
\
${
PYTHON_PKGNAMEPREFIX
}
yaml>0:devel/py-yaml@
${
PY_FLAVOR
}
TEST_DEPENDS
=
${
PYTHON_PKGNAMEPREFIX
}
pytest>0:devel/py-pytest@
${
PY_FLAVOR
}
\
mopac
>0
:science/mopac
\
mopac:science/mopac
\
mrchem:science/
${
PYTHON_PKGNAMEPREFIX
}
mrchem
\
nwchem:science/nwchem
\
rdkit>0:science/rdkit
\
...
...
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