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Port details
py-pyscf Python module for quantum chemistry
2.0.1_1 science on this many watch lists=0 search for ports that depend on this port Find issues related to this port Report an issue related to this port View this port on Repology. pkg-fallout Version of this port present on the latest quarterly branch.
Maintainer: yuri@FreeBSD.org search for ports maintained by this maintainer
Port Added: 2021-06-05 20:03:12
Last Update: 2022-01-13 04:40:22
Commit Hash: dc1215f
Also Listed In: python
License: BSD2CLAUSE
Description:
SVNWeb : git : Homepage
pkg-plist: as obtained via: make generate-plist
There is no configure plist information for this port.
Dependency lines:
  • ${PYTHON_PKGNAMEPREFIX}pyscf>0:science/py-pyscf@${PY_FLAVOR}
To install the port:
cd /usr/ports/science/py-pyscf/ && make install clean
To add the package, run one of these commands:
  • pkg install science/py-pyscf
  • pkg install py38-pyscf
NOTE: If this package has multiple flavors (see below), then use one of them instead of the name specified above.NOTE: This is a Python port. Instead of py38-pyscf listed in the above command, you can pick from the names under the Packages section.
PKGNAME: py38-pyscf
Package flavors (<flavor>: <package>)
  • py38: py38-pyscf
distinfo:
Packages (timestamps in pop-ups are UTC):
py38-pyscf
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd642.0.0.a.1032.0.0.a.103
FreeBSD:11:armv6--
FreeBSD:11:i3862.0.0.a.1032.0.0.a.103
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64--
FreeBSD:12:amd64--
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i386--
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch64--
FreeBSD:13:amd64--
FreeBSD:13:armv6--
FreeBSD:13:armv7--
FreeBSD:13:i386--
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
FreeBSD:13:riscv64--
FreeBSD:14:aarch64--
FreeBSD:14:amd64--
FreeBSD:14:armv6--
FreeBSD:14:armv7--
FreeBSD:14:i386--
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc64--
FreeBSD:14:riscv64--
 
py39-pyscf
ABIlatestquarterly
FreeBSD:11:aarch64--
FreeBSD:11:amd64--
FreeBSD:11:armv6--
FreeBSD:11:i386--
FreeBSD:11:mips--
FreeBSD:11:mips64--
FreeBSD:12:aarch64-2.0.1_1
FreeBSD:12:amd642.0.1_12.0.1_1
FreeBSD:12:armv6--
FreeBSD:12:armv7--
FreeBSD:12:i3862.0.1_12.0.1_1
FreeBSD:12:mips--
FreeBSD:12:mips64--
FreeBSD:12:powerpc64--
FreeBSD:13:aarch642.0.1_12.0.1_1
FreeBSD:13:amd642.0.1_12.0.1_1
FreeBSD:13:armv6--
FreeBSD:13:armv72.0.1_12.0.1_1
FreeBSD:13:i3862.0.1_12.0.1_1
FreeBSD:13:mips--
FreeBSD:13:mips64--
FreeBSD:13:powerpc64--
FreeBSD:13:riscv64--
FreeBSD:14:aarch642.0.1_1-
FreeBSD:14:amd642.0.1_1-
FreeBSD:14:armv6--
FreeBSD:14:armv72.0.1_1-
FreeBSD:14:i3862.0.1_1-
FreeBSD:14:mips--
FreeBSD:14:mips64--
FreeBSD:14:powerpc64--
FreeBSD:14:riscv64--
 

Dependencies
NOTE: FreshPorts displays only information on required and default dependencies. Optional dependencies are not covered.
Build dependencies:
  1. py38-numpy>=1.16,1<1.21,1 : math/py-numpy@py38
  2. py38-scipy>0 : science/py-scipy@py38
  3. py38-h5py>0 : science/py-h5py@py38
  4. cmake : devel/cmake
  5. gmake : devel/gmake
  6. gfortran10 : lang/gcc10
  7. py38-setuptools>0 : devel/py-setuptools@py38
  8. python3.8 : lang/python38
  9. as : devel/binutils
Runtime dependencies:
  1. py38-numpy>=1.16,1<1.21,1 : math/py-numpy@py38
  2. py38-scipy>0 : science/py-scipy@py38
  3. py38-h5py>0 : science/py-h5py@py38
  4. gfortran10 : lang/gcc10
  5. py38-setuptools>0 : devel/py-setuptools@py38
  6. python3.8 : lang/python38
Library dependencies:
  1. libcint.so : science/libcint
  2. libxc.so : science/libxc
  3. libxcfun.so : science/xcfun
  4. libopenblas.so : math/openblas
This port is required by:
for Build
  1. science/qmcpack
for Run
  1. science/py-OpenFermion-PySCF
  2. science/py-qiskit-nature
  3. science/qmcpack

Configuration Options:
Options name:

USES:

FreshPorts was unable to extract/find any pkg message
Master Sites:
Expand this list (1 items)
Collapse this list.
  1. https://codeload.github.com/pyscf/pyscf/tar.gz/v2.0.1?dummy=/
Collapse this list.

Number of commits found: 4

Commit History - (may be incomplete: see SVNWeb link above for full details)
DateByDescription
13 Jan 2022 04:40:22
 files touched by this commit commit hash:dc1215f0f68178c6a0e3ffe4f9a91ac6590ee650  2.0.1_1
Yuri Victorovich (yuri) search for other commits by this committer
science/py-pyscf: Unbreak fetch

The tarball changed by 12 bytes for no apparent reason.

Reported by:	fallout
26 Dec 2021 20:21:24
 files touched by this commit commit hash:4db755b427db7e25c471ab9a485c9cee41f23256  2.0.1_1
Yuri Victorovich (yuri) search for other commits by this committer
science/libcint: Update 4.4.6 -> 5.1.0

Bump science/py-pyscf and add libcint compatibility patch.

Reported by:	portscout
16 Nov 2021 22:41:36
 files touched by this commit commit hash:f27f7aadd7062c4953046b365e5caff3f4c50310  2.0.1
Yuri Victorovich (yuri) search for other commits by this committer
science/py-pyscf: Update 2.0.0a-103 -> 2.0.1

Reported by:	portscout
05 Jun 2021 20:01:38
 files touched by this commit commit hash:f97053f992b81383ebc013323ad148dfbce7b6dd  2.0.0.a.103
Yuri Victorovich (yuri) search for other commits by this committer
science/py-pyscf: New port: Python module for quantum chemistry

Number of commits found: 4