diff options
| author | Yuri Victorovich <yuri@FreeBSD.org> | 2022-08-12 00:10:46 +0000 |
|---|---|---|
| committer | Yuri Victorovich <yuri@FreeBSD.org> | 2022-08-12 00:11:19 +0000 |
| commit | ed417e4d65fe4f7f1d857621c90b6125791ae622 (patch) | |
| tree | 38f017d7f7d14cf42cb9202ebb618479aae84a6f | |
| parent | 1e8c8b489a047d05abc47de4f0258feead08c302 (diff) | |
science/py-OpenFermion-PySCF: New port: Interface between OpenFermion and PySCF
| -rw-r--r-- | science/Makefile | 1 | ||||
| -rw-r--r-- | science/py-OpenFermion-PySCF/Makefile | 25 | ||||
| -rw-r--r-- | science/py-OpenFermion-PySCF/distinfo | 3 | ||||
| -rw-r--r-- | science/py-OpenFermion-PySCF/pkg-descr | 4 |
4 files changed, 33 insertions, 0 deletions
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 |