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science/py-OpenFermion-PySCF: New port: Interface between OpenFermion and PySCF

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This commit is contained in:
Yuri Victorovich 2022-08-11 17:10:46 -07:00
parent 1e8c8b489a
commit ed417e4d65
4 changed files with 33 additions and 0 deletions
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1
science/Makefile
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@ -256,6 +256,7 @@
SUBDIR += py-MDAnalysisTests
SUBDIR += py-OpenFermion
SUBDIR += py-OpenFermion-Dirac
SUBDIR += py-OpenFermion-PySCF
SUBDIR += py-OpenMC
SUBDIR += py-PubChemPy
SUBDIR += py-PyFR

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science/py-OpenFermion-PySCF/Makefile Normal file
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@ -0,0 +1,25 @@
PORTNAME= py-OpenFermion-PySCF
DISTVERSIONPREFIX= v
DISTVERSION= 0.5
CATEGORIES= science python # chemistry, quantum-computing
PKGNAMEPREFIX= ${PYTHON_PKGNAMEPREFIX}
MAINTAINER= yuri@FreeBSD.org
COMMENT= Interface between OpenFermion and PySCF
LICENSE= APACHE20
LICENSE_FILE= ${WRKSRC}/LICENSE
RUN_DEPENDS= ${PYTHON_PKGNAMEPREFIX}OpenFermion>0:science/py-OpenFermion@${PY_FLAVOR} \
${PYTHON_PKGNAMEPREFIX}pyscf>0:science/py-pyscf@${PY_FLAVOR}
USES= python
USE_PYTHON= distutils autoplist pytest # 2 tests are known to fail, see https://github.com/quantumlib/OpenFermion-PySCF/issues/65
USE_GITHUB= yes
GH_ACCOUNT= quantumlib
GH_PROJECT= OpenFermion-PySCF
NO_ARCH= yes
.include <bsd.port.mk>

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science/py-OpenFermion-PySCF/distinfo Normal file
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TIMESTAMP = 1660258578
SHA256 (quantumlib-OpenFermion-PySCF-v0.5_GH0.tar.gz) = 8548dd47bcd314ec489d31caa2a92455555d1b2a623bca9baeb6c3fb4c808220
SIZE (quantumlib-OpenFermion-PySCF-v0.5_GH0.tar.gz) = 39924

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science/py-OpenFermion-PySCF/pkg-descr Normal file
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OpenFermion-PySCF is an interface between OpenFermion and PySCF to perform
relativistic quantum chemistry calculations simulated on a quantum computer.
WWW: https://github.com/quantumlib/OpenFermion-PySCF