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| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-11-15 04:49:15 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-11-15 04:49:15 +0000 |
| commit | b5f6999039f41dd29c9b7c4f7ab4294926c3ef30 (patch) | |
| tree | 8a401ef1a8336133ebc87e5c2dc352dd51cbcd02 | |
| parent | c198e10673e58ebd1a13259348591593f872b72b (diff) | |
| download | ports-b5f6999039f41dd29c9b7c4f7ab4294926c3ef30.tar.gz ports-b5f6999039f41dd29c9b7c4f7ab4294926c3ef30.zip | |
science/mopac: Update 7.1.15 -> 22.0.5
| -rw-r--r-- | science/mopac/Makefile | 47 | ||||
| -rw-r--r-- | science/mopac/distinfo | 6 | ||||
| -rw-r--r-- | science/mopac/pkg-plist | 8 | ||||
| -rw-r--r-- | science/py-qcengine/Makefile | 2 |
4 files changed, 22 insertions, 41 deletions
diff --git a/science/mopac/Makefile b/science/mopac/Makefile index cd15f9982ca8..a0835c53f71f 100644 --- a/science/mopac/Makefile +++ b/science/mopac/Makefile @@ -1,43 +1,32 @@ PORTNAME= mopac -PORTVERSION= 7.${MOPAC_SUBVERSION} -PORTREVISION= 8 +DISTVERSIONPREFIX= v +DISTVERSION= 22.0.5 PORTEPOCH= 1 CATEGORIES= science # chemistry -MASTER_SITES= http://bioinformatics.org/ghemical/download/%SUBDIR%/ -MASTER_SITE_SUBDIR= release20111012 current -DISTNAME= mopac7-${MOPAC_SUBVERSION} MAINTAINER= yuri@FreeBSD.org COMMENT= Semi-empirical (MNDO, etc.) molecular orbital calculation -WWW= https://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> diff --git a/science/mopac/distinfo b/science/mopac/distinfo index 2a8943e72967..d7a3f812a0fe 100644 --- a/science/mopac/distinfo +++ b/science/mopac/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1655625116 -SHA256 (mopac7-1.15.tar.gz) = 6d7ac5d78522db70f7794fd816cea32829cfa9e93774202fe80ba5a54375fbaa -SIZE (mopac7-1.15.tar.gz) = 764547 +TIMESTAMP = 1668486249 +SHA256 (openmopac-mopac-v22.0.5_GH0.tar.gz) = 48214514a7879fc5253db932a397fbfea0f35627c66694e170db1323454a1acc +SIZE (openmopac-mopac-v22.0.5_GH0.tar.gz) = 15781547 diff --git a/science/mopac/pkg-plist b/science/mopac/pkg-plist deleted file mode 100644 index 662c639fbc56..000000000000 --- a/science/mopac/pkg-plist +++ /dev/null @@ -1,8 +0,0 @@ -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 diff --git a/science/py-qcengine/Makefile b/science/py-qcengine/Makefile index fa03f6ece4ac..9cc06637eceb 100644 --- a/science/py-qcengine/Makefile +++ b/science/py-qcengine/Makefile @@ -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 \ |