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Fri, 12 Aug 2022 00:11:22 GMT (envelope-from git) Date: Fri, 12 Aug 2022 00:11:22 GMT Message-Id: <202208120011.27C0BM1X089846@gitrepo.freebsd.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: ed417e4d65fe - main - science/py-OpenFermion-PySCF: New port: Interface between OpenFermion and PySCF List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: Sender: owner-dev-commits-ports-main@freebsd.org X-BeenThere: dev-commits-ports-main@freebsd.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: ed417e4d65fe4f7f1d857621c90b6125791ae622 Auto-Submitted: auto-generated ARC-Message-Signature: i=1; a=rsa-sha256; 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mx1.freebsd.org; none X-ThisMailContainsUnwantedMimeParts: N The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=ed417e4d65fe4f7f1d857621c90b6125791ae622 commit ed417e4d65fe4f7f1d857621c90b6125791ae622 Author: Yuri Victorovich AuthorDate: 2022-08-12 00:10:46 +0000 Commit: Yuri Victorovich 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 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