git: ed417e4d65fe - main - science/py-OpenFermion-PySCF: New port: Interface between OpenFermion and PySCF

The branch main has been updated by yuri:

URL: https://cgit.FreeBSD.org/ports/commit/?id=ed417e4d65fe4f7f1d857621c90b6125791ae622

commit ed417e4d65fe4f7f1d857621c90b6125791ae622
Author:     Yuri Victorovich <yuri@FreeBSD.org>
AuthorDate: 2022-08-12 00:10:46 +0000
Commit:     Yuri Victorovich <yuri@FreeBSD.org>
CommitDate: 2022-08-12 00:11:19 +0000

    science/py-OpenFermion-PySCF: New port: Interface between OpenFermion and PySCF
---
 science/Makefile                       |  1 +
 science/py-OpenFermion-PySCF/Makefile  | 25 +++++++++++++++++++++++++
 science/py-OpenFermion-PySCF/distinfo  |  3 +++
 science/py-OpenFermion-PySCF/pkg-descr |  4 ++++
 4 files changed, 33 insertions(+)

diff --git a/science/Makefile b/science/Makefile
index 1c2f5aeb8a0c..6e3bc001aab0 100644
--- a/science/Makefile
+++ b/science/Makefile
@@ -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
diff --git a/science/py-OpenFermion-PySCF/Makefile b/science/py-OpenFermion-PySCF/Makefile
new file mode 100644
index 000000000000..d104c170835b
--- /dev/null
+++ b/science/py-OpenFermion-PySCF/Makefile
@@ -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>
diff --git a/science/py-OpenFermion-PySCF/distinfo b/science/py-OpenFermion-PySCF/distinfo
new file mode 100644
index 000000000000..e9740728b859
--- /dev/null
+++ b/science/py-OpenFermion-PySCF/distinfo
@@ -0,0 +1,3 @@
+TIMESTAMP = 1660258578
+SHA256 (quantumlib-OpenFermion-PySCF-v0.5_GH0.tar.gz) = 8548dd47bcd314ec489d31caa2a92455555d1b2a623bca9baeb6c3fb4c808220
+SIZE (quantumlib-OpenFermion-PySCF-v0.5_GH0.tar.gz) = 39924
diff --git a/science/py-OpenFermion-PySCF/pkg-descr b/science/py-OpenFermion-PySCF/pkg-descr
new file mode 100644
index 000000000000..29d2abf7f5c2
--- /dev/null
+++ b/science/py-OpenFermion-PySCF/pkg-descr
@@ -0,0 +1,4 @@
+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